N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide

C17H27N3O2 — CID 86983414

IUPACN-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)NC(C)CCC(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-12(2)8-9-14(4)19-16(21)11-18-17(22)20-15-7-5-6-13(3)10-15/h5-7,10,12,14H,8-9,11H2,1-4H3,(H,19,21)(H2,18,20,22)
InChIKeyQGARRFLFNRFIDO-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.06
Rot. Bonds7

About N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide

N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide (PubChem CID 86983414) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
PubChem CID86983414
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
SMILESCc1cccc(NC(=O)NCC(=O)NC(C)CCC(C)C)c1
InChIInChI=1S/C17H27N3O2/c1-12(2)8-9-14(4)19-16(21)11-18-17(22)20-15-7-5-6-13(3)10-15/h5-7,10,12,14H,8-9,11H2,1-4H3,(H,19,21)(H2,18,20,22)
InChIKeyQGARRFLFNRFIDO-UHFFFAOYSA-N
XLogP3.06
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342
3-methyl-2-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanamide
CID 86983305
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide
CID 60647450
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916197
1-(2-hydroxy-4-methylpentyl)-3-(3-methylphenyl)urea
CID 110909846
N-[2-(3-methylanilino)-2-oxoethyl]-2-(2-methylpropylamino)acetamide
CID 3381858
N-(2-ethyl-1-thiophen-2-ylbutyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55984026
1-(3-aminophenyl)-3-(5-methylhexan-2-yl)urea
CID 63926516

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide?
The IUPAC name of N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide (CID 86983414) is N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide is Cc1cccc(NC(=O)NCC(=O)NC(C)CCC(C)C)c1.
What is the InChIKey of N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide?
The InChIKey is QGARRFLFNRFIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)8-9-14(4)19-16(21)11-18-17(22)20-15-7-5-6-13(3)10-15/h5-7,10,12,14H,8-9,11H2,1-4H3,(H,19,21)(H2,18,20,22).
What are the key properties of N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide?
N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide has a molecular weight of 305.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide is sourced from PubChem (CID 86983414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).