3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide

C20H32N4O2 — CID 119619279

IUPAC3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1C(CC(=O)NCCNC1CCCCCC1)NC(N)=O
InChIInChI=1S/C20H32N4O2/c1-15-8-6-7-11-17(15)18(24-20(21)26)14-19(25)23-13-12-22-16-9-4-2-3-5-10-16/h6-8,11,16,18,22H,2-5,9-10,12-14H2,1H3,(H,23,25)(H3,21,24,26)
InChIKeyOUZRBNRXIYYRIT-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.52
Rot. Bonds8

About 3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide

3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide (PubChem CID 119619279) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide
PubChem CID119619279
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1C(CC(=O)NCCNC1CCCCCC1)NC(N)=O
InChIInChI=1S/C20H32N4O2/c1-15-8-6-7-11-17(15)18(24-20(21)26)14-19(25)23-13-12-22-16-9-4-2-3-5-10-16/h6-8,11,16,18,22H,2-5,9-10,12-14H2,1H3,(H,23,25)(H3,21,24,26)
InChIKeyOUZRBNRXIYYRIT-UHFFFAOYSA-N
XLogP2.52
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119495043
3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide
CID 119424459
4-[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]butanoic acid
CID 119352945
N-[2-(cycloheptylamino)ethyl]-3-(2-methoxyphenyl)butanamide
CID 119619663
N-(2-amino-2-methylpropyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide
CID 119625989
3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide
CID 42953252
[3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea
CID 119487798
[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea
CID 119621791
2-(cyclopentylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81380629
(3S)-1-[(3S)-3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 125134805
(3S)-1-[(3R)-3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 125134807
3-(carbamoylamino)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3-(2-methylphenyl)propanamide
CID 86954958

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide (CID 119619279) is 3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide is Cc1ccccc1C(CC(=O)NCCNC1CCCCCC1)NC(N)=O.
What is the InChIKey of 3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide?
The InChIKey is OUZRBNRXIYYRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15-8-6-7-11-17(15)18(24-20(21)26)14-19(25)23-13-12-22-16-9-4-2-3-5-10-16/h6-8,11,16,18,22H,2-5,9-10,12-14H2,1H3,(H,23,25)(H3,21,24,26).
What are the key properties of 3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide?
3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide has a molecular weight of 360.50 g/mol, XLogP of 2.52, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 119619279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).