N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide

C24H35N3O4 — CID 7103582

IUPACN-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
SMILESCC[C@@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C24H35N3O4/c1-3-24(2,23(30)26-19-12-7-8-13-19)27(17-20-14-9-15-31-20)21(28)16-25-22(29)18-10-5-4-6-11-18/h4-6,10-11,19-20H,3,7-9,12-17H2,1-2H3,(H,25,29)(H,26,30)/t20-,24+/m1/s1
InChIKeyIUCHXVAMUWGYHD-YKSBVNFPSA-N
MW429.56 g/mol
LogP2.65
Rot. Bonds9

About N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide

N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide (PubChem CID 7103582) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
PubChem CID7103582
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC NameN-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide
SMILESCC[C@@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C24H35N3O4/c1-3-24(2,23(30)26-19-12-7-8-13-19)27(17-20-14-9-15-31-20)21(28)16-25-22(29)18-10-5-4-6-11-18/h4-6,10-11,19-20H,3,7-9,12-17H2,1-2H3,(H,25,29)(H,26,30)/t20-,24+/m1/s1
InChIKeyIUCHXVAMUWGYHD-YKSBVNFPSA-N
XLogP2.65
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-2-carboxamide
CID 7099177
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 7107433
(2S)-N-cyclohexyl-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-methylbutanamide
CID 41186736
(2R)-N-[(2R)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 124716854
N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide
CID 94800701
N-[(2R)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-methylpyridine-2-carboxamide
CID 6940630
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 114996677
(2R)-N-cyclohexyl-2-(N-[2-[(4R)-2,5-dioxoimidazolidin-4-yl]acetyl]anilino)-2-methylbutanamide
CID 7107392
N-[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 7012216
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41084647
N-[2-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 652338

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide (CID 7103582) is N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide is CC[C@@](C)(C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is IUCHXVAMUWGYHD-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-3-24(2,23(30)26-19-12-7-8-13-19)27(17-20-14-9-15-31-20)21(28)16-25-22(29)18-10-5-4-6-11-18/h4-6,10-11,19-20H,3,7-9,12-17H2,1-2H3,(H,25,29)(H,26,30)/t20-,24+/m1/s1.
What are the key properties of N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide?
N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 429.56 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 7103582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).