N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide

C18H27N3O2 — CID 119659590

IUPACN-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H27N3O2/c1-12(2)16(19)9-10-21(3)18(23)14-5-4-6-15(11-14)20-17(22)13-7-8-13/h4-6,11-13,16H,7-10,19H2,1-3H3,(H,20,22)
InChIKeyCJQIVNXNSNNMHP-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.48
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide

N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide (PubChem CID 119659590) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide
PubChem CID119659590
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C18H27N3O2/c1-12(2)16(19)9-10-21(3)18(23)14-5-4-6-15(11-14)20-17(22)13-7-8-13/h4-6,11-13,16H,7-10,19H2,1-3H3,(H,20,22)
InChIKeyCJQIVNXNSNNMHP-UHFFFAOYSA-N
XLogP2.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119661064
N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide
CID 119659582
N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride
CID 119660112
N-[3-[(3-amino-4-methylpentyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 119660635
methyl 4-[[3-(cyclopropanecarbonylamino)benzoyl]-methylamino]butanoate
CID 39491124
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
3-(cyclopropanecarbonylamino)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 31670360
N-(3-amino-4-methylpentyl)-3-(cyclopropylmethylsulfamoyl)-N-methylbenzamide
CID 119660555
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
N-(3-amino-4-methylpentyl)-N-methyl-3-methylsulfonylbenzamide
CID 81485805
3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460763
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide (CID 119659590) is N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide is CC(C)C(N)CCN(C)C(=O)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide?
The InChIKey is CJQIVNXNSNNMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12(2)16(19)9-10-21(3)18(23)14-5-4-6-15(11-14)20-17(22)13-7-8-13/h4-6,11-13,16H,7-10,19H2,1-3H3,(H,20,22).
What are the key properties of N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide?
N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide has a molecular weight of 317.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-3-(cyclopropanecarbonylamino)-N-methylbenzamide is sourced from PubChem (CID 119659590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).