N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide

C20H25N3O2 — CID 9132978

IUPACN-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CN[C@H](c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)19(15-7-5-4-6-8-15)22-13-18(24)23-17-11-9-16(10-12-17)20(25)21-3/h4-12,14,19,22H,13H2,1-3H3,(H,21,25)(H,23,24)/t19-/m0/s1
InChIKeyBIDMVUIVZCRAGR-IBGZPJMESA-N
MW339.44 g/mol
LogP2.97
Rot. Bonds7

About N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide

N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide (PubChem CID 9132978) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide
PubChem CID9132978
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)CN[C@H](c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)19(15-7-5-4-6-8-15)22-13-18(24)23-17-11-9-16(10-12-17)20(25)21-3/h4-12,14,19,22H,13H2,1-3H3,(H,21,25)(H,23,24)/t19-/m0/s1
InChIKeyBIDMVUIVZCRAGR-IBGZPJMESA-N
XLogP2.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide
CID 18089028
N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131833
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 9133103
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132977
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131635
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9131711
N-(3-methoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131545
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131955
N-(2,6-diethylphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131674
N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide (CID 9132978) is N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide is CNC(=O)c1ccc(NC(=O)CN[C@H](c2ccccc2)C(C)C)cc1.
What is the InChIKey of N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide?
The InChIKey is BIDMVUIVZCRAGR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)19(15-7-5-4-6-8-15)22-13-18(24)23-17-11-9-16(10-12-17)20(25)21-3/h4-12,14,19,22H,13H2,1-3H3,(H,21,25)(H,23,24)/t19-/m0/s1.
What are the key properties of N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide?
N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 9132978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).