N-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide

C14H27N3O2 — CID 52664415

IUPACN-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide
SMILESCCCCCN(CC(=O)NC(=O)NC1CC1)C(C)C
InChIInChI=1S/C14H27N3O2/c1-4-5-6-9-17(11(2)3)10-13(18)16-14(19)15-12-7-8-12/h11-12H,4-10H2,1-3H3,(H2,15,16,18,19)
InChIKeyFQOBANSQOABPEF-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.88
Rot. Bonds8

About N-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide

N-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide (PubChem CID 52664415) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide
PubChem CID52664415
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide
SMILESCCCCCN(CC(=O)NC(=O)NC1CC1)C(C)C
InChIInChI=1S/C14H27N3O2/c1-4-5-6-9-17(11(2)3)10-13(18)16-14(19)15-12-7-8-12/h11-12H,4-10H2,1-3H3,(H2,15,16,18,19)
InChIKeyFQOBANSQOABPEF-UHFFFAOYSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylcarbamoyl)-2-[2-methylpropyl(propan-2-yl)amino]acetamide
CID 36962774
2-[1-(2-bromophenyl)ethyl-propylamino]-N-(cyclopropylcarbamoyl)acetamide
CID 60505976
N-(cyclopropylcarbamoyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 113246277
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638909
2-[3-aminopropyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 81494112
2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide
CID 81490662
2-(cyclopropylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
CID 64825760
1-[pentyl(propan-2-yl)amino]pentan-2-one
CID 62043113
2-[cyclopentyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 47126757
N-(cyclopropylcarbamoyl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 47113229
2-[cyclohexyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 40706155
3-[[2-(cyclohexylamino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 54925805

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide (CID 52664415) is N-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide is CCCCCN(CC(=O)NC(=O)NC1CC1)C(C)C.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide?
The InChIKey is FQOBANSQOABPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-5-6-9-17(11(2)3)10-13(18)16-14(19)15-12-7-8-12/h11-12H,4-10H2,1-3H3,(H2,15,16,18,19).
What are the key properties of N-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide?
N-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide has a molecular weight of 269.39 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-[pentyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 52664415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).