N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

C18H27N3O2 — CID 119667522

IUPACN-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCCCCC(CN)NC(=O)c1cccc(NC(=O)C2CC2C)c1
InChIInChI=1S/C18H27N3O2/c1-3-4-7-15(11-19)21-17(22)13-6-5-8-14(10-13)20-18(23)16-9-12(16)2/h5-6,8,10,12,15-16H,3-4,7,9,11,19H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyVBPXKEBTWUWAET-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.53
Rot. Bonds8

About N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 119667522) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID119667522
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCCCCC(CN)NC(=O)c1cccc(NC(=O)C2CC2C)c1
InChIInChI=1S/C18H27N3O2/c1-3-4-7-15(11-19)21-17(22)13-6-5-8-14(10-13)20-18(23)16-9-12(16)2/h5-6,8,10,12,15-16H,3-4,7,9,11,19H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyVBPXKEBTWUWAET-UHFFFAOYSA-N
XLogP2.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119668693
N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119616196
ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate
CID 129418999
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119668361
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
2-methyl-2-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]butanoic acid
CID 119199006
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 119667522) is N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is CCCCC(CN)NC(=O)c1cccc(NC(=O)C2CC2C)c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is VBPXKEBTWUWAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-4-7-15(11-19)21-17(22)13-6-5-8-14(10-13)20-18(23)16-9-12(16)2/h5-6,8,10,12,15-16H,3-4,7,9,11,19H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 317.43 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 119667522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).