5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide

C20H33N3O2 — CID 60601068

IUPAC5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide
SMILESCC(C)Cc1ccc(C(NC(=O)CCCCNC(N)=O)C(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-14(2)13-16-8-10-17(11-9-16)19(15(3)4)23-18(24)7-5-6-12-22-20(21)25/h8-11,14-15,19H,5-7,12-13H2,1-4H3,(H,23,24)(H3,21,22,25)
InChIKeyJINCZUSSSPNGKP-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.54
Rot. Bonds10

About 5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide

5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide (PubChem CID 60601068) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide.

Molecular Properties

Compound Name5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide
PubChem CID60601068
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide
SMILESCC(C)Cc1ccc(C(NC(=O)CCCCNC(N)=O)C(C)C)cc1
InChIInChI=1S/C20H33N3O2/c1-14(2)13-16-8-10-17(11-9-16)19(15(3)4)23-18(24)7-5-6-12-22-20(21)25/h8-11,14-15,19H,5-7,12-13H2,1-4H3,(H,23,24)(H3,21,22,25)
InChIKeyJINCZUSSSPNGKP-UHFFFAOYSA-N
XLogP3.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 55677698
6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide
CID 112791697
(2S)-2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide
CID 8996099
(2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide
CID 8996102
4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119272369
5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide
CID 35019095
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533
N-[1-[[(2S)-5-(carbamoylamino)-1-[4-(2-methylpropyl)anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
CID 155054424
N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 46532972
5-(carbamoylamino)-2-[[2-[5-(2,5-dioxopyrrol-1-yl)pentanoylamino]-3-methylbutanoyl]amino]-N-[4-(2-methylpropyl)phenyl]pentanamide
CID 171745070
5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide
CID 33239098
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 79201421

Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide?
The IUPAC name of 5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide (CID 60601068) is 5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide.
What is the SMILES notation for 5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide?
The canonical SMILES for 5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide is CC(C)Cc1ccc(C(NC(=O)CCCCNC(N)=O)C(C)C)cc1.
What is the InChIKey of 5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide?
The InChIKey is JINCZUSSSPNGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-14(2)13-16-8-10-17(11-9-16)19(15(3)4)23-18(24)7-5-6-12-22-20(21)25/h8-11,14-15,19H,5-7,12-13H2,1-4H3,(H,23,24)(H3,21,22,25).
What are the key properties of 5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide?
5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide has a molecular weight of 347.50 g/mol, XLogP of 3.54, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide is sourced from PubChem (CID 60601068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).