N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-piperidin-1-ylphenyl)carbamoylamino]butanamide

C26H41N5O4 — CID 91054696

IUPACN-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-piperidin-1-ylphenyl)carbamoylamino]butanamide
SMILESCC(C)(C)C(NC(=O)Nc1ccccc1N1CCCCC1)C(=O)N(CC(=O)NO)CC1CCCC1
InChIInChI=1S/C26H41N5O4/c1-26(2,3)23(24(33)31(18-22(32)29-35)17-19-11-5-6-12-19)28-25(34)27-20-13-7-8-14-21(20)30-15-9-4-10-16-30/h7-8,13-14,19,23,35H,4-6,9-12,15-18H2,1-3H3,(H,29,32)(H2,27,28,34)
InChIKeyUBUASOKBSSIFIX-UHFFFAOYSA-N
MW487.65 g/mol
LogP3.74
Rot. Bonds8

About N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-piperidin-1-ylphenyl)carbamoylamino]butanamide

N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-piperidin-1-ylphenyl)carbamoylamino]butanamide (PubChem CID 91054696) has the molecular formula C26H41N5O4 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-piperidin-1-ylphenyl)carbamoylamino]butanamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-piperidin-1-ylphenyl)carbamoylamino]butanamide
PubChem CID91054696
Molecular FormulaC26H41N5O4
Molecular Weight487.65 g/mol
Exact Mass487.32
IUPAC NameN-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-piperidin-1-ylphenyl)carbamoylamino]butanamide
SMILESCC(C)(C)C(NC(=O)Nc1ccccc1N1CCCCC1)C(=O)N(CC(=O)NO)CC1CCCC1
InChIInChI=1S/C26H41N5O4/c1-26(2,3)23(24(33)31(18-22(32)29-35)17-19-11-5-6-12-19)28-25(34)27-20-13-7-8-14-21(20)30-15-9-4-10-16-30/h7-8,13-14,19,23,35H,4-6,9-12,15-18H2,1-3H3,(H,29,32)(H2,27,28,34)
InChIKeyUBUASOKBSSIFIX-UHFFFAOYSA-N
XLogP3.74
TPSA114.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide
CID 91225497
N-(cyclopentylmethyl)-2-[(2-fluorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 85421775
N-(cyclopentylmethyl)-2-[(5-fluoro-2-morpholin-4-ylphenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 91486192
N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamoylamino]butanamide
CID 91270130
(2S)-N-(2-cyclopentylethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-2-[(2-methoxyphenyl)carbamoylamino]-3,3-dimethylbutanamide
CID 11476419
2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 72782718
(2S)-N-(2-cyclopentylethyl)-2-[(2,4-dichlorophenyl)carbamoylamino]-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 11420377
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-3-propan-2-ylurea
CID 100665127
2-[cyclohexylmethyl(methyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 46570974
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
3-[[2-(azepan-1-yl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122075300

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-piperidin-1-ylphenyl)carbamoylamino]butanamide?
The IUPAC name of N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-piperidin-1-ylphenyl)carbamoylamino]butanamide (CID 91054696) is N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-piperidin-1-ylphenyl)carbamoylamino]butanamide.
What is the SMILES notation for N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-piperidin-1-ylphenyl)carbamoylamino]butanamide?
The canonical SMILES for N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-piperidin-1-ylphenyl)carbamoylamino]butanamide is CC(C)(C)C(NC(=O)Nc1ccccc1N1CCCCC1)C(=O)N(CC(=O)NO)CC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-piperidin-1-ylphenyl)carbamoylamino]butanamide?
The InChIKey is UBUASOKBSSIFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N5O4/c1-26(2,3)23(24(33)31(18-22(32)29-35)17-19-11-5-6-12-19)28-25(34)27-20-13-7-8-14-21(20)30-15-9-4-10-16-30/h7-8,13-14,19,23,35H,4-6,9-12,15-18H2,1-3H3,(H,29,32)(H2,27,28,34).
What are the key properties of N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-piperidin-1-ylphenyl)carbamoylamino]butanamide?
N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-piperidin-1-ylphenyl)carbamoylamino]butanamide has a molecular weight of 487.65 g/mol, XLogP of 3.74, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-3,3-dimethyl-2-[(2-piperidin-1-ylphenyl)carbamoylamino]butanamide is sourced from PubChem (CID 91054696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).