2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide

C18H21N3O2 — CID 8641426

IUPAC2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide
SMILESCc1ccc([C@H](NCC(=O)NCC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-7-9-15(10-8-13)18(14-5-3-2-4-6-14)21-12-17(23)20-11-16(19)22/h2-10,18,21H,11-12H2,1H3,(H2,19,22)(H,20,23)/t18-/m1/s1
InChIKeyPNXHJAYGIVBUEJ-GOSISDBHSA-N
MW311.39 g/mol
LogP1.28
Rot. Bonds7

About 2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide

2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide (PubChem CID 8641426) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide
PubChem CID8641426
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide
SMILESCc1ccc([C@H](NCC(=O)NCC(N)=O)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-7-9-15(10-8-13)18(14-5-3-2-4-6-14)21-12-17(23)20-11-16(19)22/h2-10,18,21H,11-12H2,1H3,(H2,19,22)(H,20,23)/t18-/m1/s1
InChIKeyPNXHJAYGIVBUEJ-GOSISDBHSA-N
XLogP1.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(benzhydrylamino)acetyl]amino]acetamide
CID 8596592
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392402
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
methyl 4-[[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]butanoate
CID 8641186
N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393022
2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9393079
N-(2,6-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392689
N-(2-chloro-4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392747
N-(2-acetylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393487
N-[2,6-di(propan-2-yl)phenyl]-2-[[(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 19874968
2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8641468
N-(2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392871

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide (CID 8641426) is 2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide is Cc1ccc([C@H](NCC(=O)NCC(N)=O)c2ccccc2)cc1.
What is the InChIKey of 2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide?
The InChIKey is PNXHJAYGIVBUEJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-7-9-15(10-8-13)18(14-5-3-2-4-6-14)21-12-17(23)20-11-16(19)22/h2-10,18,21H,11-12H2,1H3,(H2,19,22)(H,20,23)/t18-/m1/s1.
What are the key properties of 2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide?
2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide has a molecular weight of 311.39 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide is sourced from PubChem (CID 8641426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).