N-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide

C20H33N3O2 — CID 57021991

IUPACN-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide
SMILESCCCC(N)CCC(N)C(=O)[C@@H](CC)NC(=O)Cc1cccc(C)c1
InChIInChI=1S/C20H33N3O2/c1-4-7-16(21)10-11-17(22)20(25)18(5-2)23-19(24)13-15-9-6-8-14(3)12-15/h6,8-9,12,16-18H,4-5,7,10-11,13,21-22H2,1-3H3,(H,23,24)/t16?,17?,18-/m1/s1
InChIKeySCOBEBMGVJIWHV-DAWZGUTISA-N
MW347.50 g/mol
LogP2.24
Rot. Bonds11

About N-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide

N-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide (PubChem CID 57021991) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide
PubChem CID57021991
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide
SMILESCCCC(N)CCC(N)C(=O)[C@@H](CC)NC(=O)Cc1cccc(C)c1
InChIInChI=1S/C20H33N3O2/c1-4-7-16(21)10-11-17(22)20(25)18(5-2)23-19(24)13-15-9-6-8-14(3)12-15/h6,8-9,12,16-18H,4-5,7,10-11,13,21-22H2,1-3H3,(H,23,24)/t16?,17?,18-/m1/s1
InChIKeySCOBEBMGVJIWHV-DAWZGUTISA-N
XLogP2.24
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanobutyl)-2-(3-methylphenyl)acetamide
CID 55067567
(2S,3S)-3-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoic acid
CID 55067991
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide
CID 62388540
(2R)-4-amino-2-[[2-(3-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 114004738
2-[[2-(3-methylphenyl)acetyl]amino]-4-methylsulfonylbutanoic acid
CID 62389938
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
ethyl 2-[(3-methylphenyl)methylamino]butanoate
CID 64669137
3-methyl-1-(3-methylphenyl)pentan-2-one
CID 62388886
2-[[2-(3-methylphenyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 62389198
(2R)-2-[[2-(3-methylphenyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 104906532
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(3-methylphenyl)acetamide
CID 76947804

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide (CID 57021991) is N-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide is CCCC(N)CCC(N)C(=O)[C@@H](CC)NC(=O)Cc1cccc(C)c1.
What is the InChIKey of N-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide?
The InChIKey is SCOBEBMGVJIWHV-DAWZGUTISA-N. The full InChI is InChI=1S/C20H33N3O2/c1-4-7-16(21)10-11-17(22)20(25)18(5-2)23-19(24)13-15-9-6-8-14(3)12-15/h6,8-9,12,16-18H,4-5,7,10-11,13,21-22H2,1-3H3,(H,23,24)/t16?,17?,18-/m1/s1.
What are the key properties of N-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide?
N-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide has a molecular weight of 347.50 g/mol, XLogP of 2.24, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5,8-diamino-4-oxoundecan-3-yl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 57021991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).