N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide

C16H25N3O2 — CID 120507870

IUPACN-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)N[C@@H](C)CN
InChIInChI=1S/C16H25N3O2/c1-4-11(2)14(16(21)18-12(3)10-17)19-15(20)13-8-6-5-7-9-13/h5-9,11-12,14H,4,10,17H2,1-3H3,(H,18,21)(H,19,20)/t11?,12-,14?/m0/s1
InChIKeyDGBHMRDCFTVVEA-LXVYMNJGSA-N
MW291.39 g/mol
LogP1.29
Rot. Bonds7

About N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide

N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 120507870) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID120507870
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)N[C@@H](C)CN
InChIInChI=1S/C16H25N3O2/c1-4-11(2)14(16(21)18-12(3)10-17)19-15(20)13-8-6-5-7-9-13/h5-9,11-12,14H,4,10,17H2,1-3H3,(H,18,21)(H,19,20)/t11?,12-,14?/m0/s1
InChIKeyDGBHMRDCFTVVEA-LXVYMNJGSA-N
XLogP1.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 173102117
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N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119665970
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 98641458
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119528058
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572
N-[(2S,3S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613124
N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613190
N-[1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 78512632
benzyl 2-[[(2S,3S)-2-benzamido-3-methylpentanoyl]amino]acetate
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Frequently Asked Questions

What is the IUPAC name of N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide (CID 120507870) is N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccccc1)C(=O)N[C@@H](C)CN.
What is the InChIKey of N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is DGBHMRDCFTVVEA-LXVYMNJGSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-11(2)14(16(21)18-12(3)10-17)19-15(20)13-8-6-5-7-9-13/h5-9,11-12,14H,4,10,17H2,1-3H3,(H,18,21)(H,19,20)/t11?,12-,14?/m0/s1.
What are the key properties of N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 120507870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).