N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide

C20H23N3O2 — CID 8897970

IUPACN-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
SMILESC[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-14(15-7-3-2-4-8-15)21-13-19(24)23-18-10-6-5-9-17(18)20(25)22-16-11-12-16/h2-10,14,16,21H,11-13H2,1H3,(H,22,25)(H,23,24)/t14-/m0/s1
InChIKeyUYUKINQBRRSZNR-AWEZNQCLSA-N
MW337.42 g/mol
LogP2.87
Rot. Bonds7

About N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide

N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide (PubChem CID 8897970) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
PubChem CID8897970
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide
SMILESC[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-14(15-7-3-2-4-8-15)21-13-19(24)23-18-10-6-5-9-17(18)20(25)22-16-11-12-16/h2-10,14,16,21H,11-13H2,1H3,(H,22,25)(H,23,24)/t14-/m0/s1
InChIKeyUYUKINQBRRSZNR-AWEZNQCLSA-N
XLogP2.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide
CID 8923589
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CID 41103017
N-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]benzamide
CID 60854322
N-cyclopentyl-2-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]benzamide
CID 60537204
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
CID 40919469
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclopropyl-2-[[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]acetyl]amino]benzamide
CID 40804188
N-cyclopropyl-2-[[2-(2,5-dimethylanilino)acetyl]amino]benzamide
CID 17498144
N-cyclopropyl-2-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 78908313
2-(2-aminopropanoylamino)-N-cyclopropylbenzamide
CID 24693610

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide (CID 8897970) is N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide is C[C@H](NCC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide?
The InChIKey is UYUKINQBRRSZNR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(15-7-3-2-4-8-15)21-13-19(24)23-18-10-6-5-9-17(18)20(25)22-16-11-12-16/h2-10,14,16,21H,11-13H2,1H3,(H,22,25)(H,23,24)/t14-/m0/s1.
What are the key properties of N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[[(1S)-1-phenylethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 8897970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).