N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide

C18H26N2O2 — CID 98641458

IUPACN-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)C1CC1
InChIInChI=1S/C18H26N2O2/c1-4-12(2)16(18(22)19-13(3)14-10-11-14)20-17(21)15-8-6-5-7-9-15/h5-9,12-14,16H,4,10-11H2,1-3H3,(H,19,22)(H,20,21)/t12-,13+,16+/m0/s1
InChIKeyQIGDCEFPCMAXOY-WOSRLPQWSA-N
MW302.42 g/mol
LogP2.75
Rot. Bonds7

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

N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 98641458) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID98641458
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)C1CC1
InChIInChI=1S/C18H26N2O2/c1-4-12(2)16(18(22)19-13(3)14-10-11-14)20-17(21)15-8-6-5-7-9-15/h5-9,12-14,16H,4,10-11H2,1-3H3,(H,19,22)(H,20,21)/t12-,13+,16+/m0/s1
InChIKeyQIGDCEFPCMAXOY-WOSRLPQWSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide with MolForge

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Related Compounds

N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613190
N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
CID 173102117
N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 30785525
N-[1-[[(2S)-1-aminopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 120507870
N-[1-(1-methoxypropan-2-ylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 42988908
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
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-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]benzamide
CID 24540035
N-[1-[3-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46579081
4-benzamido-N-(1-cyclopropylethyl)benzamide
CID 134006926
N-[(2S,3S)-1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55936274

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide (CID 98641458) is N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)N[C@H](C)C1CC1.
What is the InChIKey of N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is QIGDCEFPCMAXOY-WOSRLPQWSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-12(2)16(18(22)19-13(3)14-10-11-14)20-17(21)15-8-6-5-7-9-15/h5-9,12-14,16H,4,10-11H2,1-3H3,(H,19,22)(H,20,21)/t12-,13+,16+/m0/s1.
What are the key properties of N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 302.42 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-[[(1R)-1-cyclopropylethyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 98641458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).