N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide

C21H26N2O2 — CID 9120177

IUPACN-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
SMILESCCC(CC)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-18(4-2)22-21(25)19(15-16-11-7-5-8-12-16)23-20(24)17-13-9-6-10-14-17/h5-14,18-19H,3-4,15H2,1-2H3,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKeyYNTVFBHTEPSJDE-LJQANCHMSA-N
MW338.45 g/mol
LogP3.33
Rot. Bonds8

About N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide

N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide (PubChem CID 9120177) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
PubChem CID9120177
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
SMILESCCC(CC)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-18(4-2)22-21(25)19(15-16-11-7-5-8-12-16)23-20(24)17-13-9-6-10-14-17/h5-14,18-19H,3-4,15H2,1-2H3,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKeyYNTVFBHTEPSJDE-LJQANCHMSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
3-[(2-benzamido-3-phenylpropanoyl)amino]butanoic acid
CID 119220838
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate
CID 2282453
(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CID 2282526
N-[1-[3-[(2-benzamido-3-phenylpropanoyl)amino]butylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 123444182
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylpentanoic acid
CID 7324596
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17475548
2-[[(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]propanoyl]amino]acetic acid
CID 71135839
N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 156695006
N-[(2R)-1-oxo-3-phenyl-1-(phenylmethoxyamino)propan-2-yl]benzamide
CID 9227321
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 2282515
(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
CID 2282517

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide (CID 9120177) is N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide is CCC(CC)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide?
The InChIKey is YNTVFBHTEPSJDE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-18(4-2)22-21(25)19(15-16-11-7-5-8-12-16)23-20(24)17-13-9-6-10-14-17/h5-14,18-19H,3-4,15H2,1-2H3,(H,22,25)(H,23,24)/t19-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide?
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 9120177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).