2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide

C26H33N3O3 — CID 41011047

IUPAC2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C26H33N3O3/c1-18(2)23(26(32)27-20-14-8-3-4-9-15-20)29-25(31)21-16-10-11-17-22(21)28-24(30)19-12-6-5-7-13-19/h5-7,10-13,16-18,20,23H,3-4,8-9,14-15H2,1-2H3,(H,27,32)(H,28,30)(H,29,31)/t23-/m0/s1
InChIKeyLVQLHUNXBWLWKM-QHCPKHFHSA-N
MW435.57 g/mol
LogP4.53
Rot. Bonds7

About 2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide

2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 41011047) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID41011047
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C26H33N3O3/c1-18(2)23(26(32)27-20-14-8-3-4-9-15-20)29-25(31)21-16-10-11-17-22(21)28-24(30)19-12-6-5-7-13-19/h5-7,10-13,16-18,20,23H,3-4,8-9,14-15H2,1-2H3,(H,27,32)(H,28,30)(H,29,31)/t23-/m0/s1
InChIKeyLVQLHUNXBWLWKM-QHCPKHFHSA-N
XLogP4.53
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 9208969
2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 1340022
2-[[(2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]-N-cyclopropylbenzamide
CID 8023635
N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613190
4-tert-butyl-N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2094670
methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178227
2-[(4-methoxybenzoyl)amino]-N-[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]benzamide
CID 3123966
N-[1-(cyclooctylamino)-1-oxopropan-2-yl]benzamide
CID 18158922
2-[[(2S)-2-chloropropanoyl]amino]-N-cyclohexylbenzamide
CID 92660383
2-benzamido-N-[3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 3666932
4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9208945
N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1203053

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 41011047) is 2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NC1CCCCCC1.
What is the InChIKey of 2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is LVQLHUNXBWLWKM-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-18(2)23(26(32)27-20-14-8-3-4-9-15-20)29-25(31)21-16-10-11-17-22(21)28-24(30)19-12-6-5-7-13-19/h5-7,10-13,16-18,20,23H,3-4,8-9,14-15H2,1-2H3,(H,27,32)(H,28,30)(H,29,31)/t23-/m0/s1.
What are the key properties of 2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide?
2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 435.57 g/mol, XLogP of 4.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[(2S)-1-(cycloheptylamino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 41011047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).