2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide

C18H25N3O4 — CID 90757931

IUPAC2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccccc1N)C(=O)N[C@@H]1C(=O)CO[C@@H]1C
InChIInChI=1S/C18H25N3O4/c1-10(2)8-14(18(24)21-16-11(3)25-9-15(16)22)20-17(23)12-6-4-5-7-13(12)19/h4-7,10-11,14,16H,8-9,19H2,1-3H3,(H,20,23)(H,21,24)/t11-,14?,16+/m1/s1
InChIKeyPTBGTJLEYVYFIS-DMPVCAQSSA-N
MW347.42 g/mol
LogP0.89
Rot. Bonds6

About 2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide

2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide (PubChem CID 90757931) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide
PubChem CID90757931
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccccc1N)C(=O)N[C@@H]1C(=O)CO[C@@H]1C
InChIInChI=1S/C18H25N3O4/c1-10(2)8-14(18(24)21-16-11(3)25-9-15(16)22)20-17(23)12-6-4-5-7-13(12)19/h4-7,10-11,14,16H,8-9,19H2,1-3H3,(H,20,23)(H,21,24)/t11-,14?,16+/m1/s1
InChIKeyPTBGTJLEYVYFIS-DMPVCAQSSA-N
XLogP0.89
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-pyrrolidin-1-ylbenzamide
CID 91339852
N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
CID 91442080
5-methoxy-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 90895144
4-methyl-N-[(2R,3S)-2-methyl-4-oxooxolan-3-yl]-2-(3-phenylphenyl)pentanamide
CID 10133440
N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide
CID 91117543
4-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopent-4-en-2-yl]-1-N-phenylbenzene-1,4-dicarboxamide
CID 91489455
4-tert-butyl-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopent-4-en-2-yl]benzamide
CID 91112482
cis-(1S,3R)-3-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 120676661
N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide
CID 67075324
N-[1-[(2-ethyl-4-oxooxolan-3-yl)amino]-5-methyl-1-oxohexan-2-yl]benzamide
CID 22935937
(2S)-2-[(4-tert-butylphenyl)methylsulfonyl]-4-methyl-N-[(3R)-2-methyl-4-oxooxolan-3-yl]pentanamide
CID 90789755
2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 163212007

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide (CID 90757931) is 2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccccc1N)C(=O)N[C@@H]1C(=O)CO[C@@H]1C.
What is the InChIKey of 2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide?
The InChIKey is PTBGTJLEYVYFIS-DMPVCAQSSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-10(2)8-14(18(24)21-16-11(3)25-9-15(16)22)20-17(23)12-6-4-5-7-13(12)19/h4-7,10-11,14,16H,8-9,19H2,1-3H3,(H,20,23)(H,21,24)/t11-,14?,16+/m1/s1.
What are the key properties of 2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide?
2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 90757931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).