N-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide

C18H24N2O4 — CID 10544561

IUPACN-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide
SMILESCC(=O)N(CC(Cc1ccccc1)CN(C(C)=O)C(C)=O)C(C)=O
InChIInChI=1S/C18H24N2O4/c1-13(21)19(14(2)22)11-18(10-17-8-6-5-7-9-17)12-20(15(3)23)16(4)24/h5-9,18H,10-12H2,1-4H3
InChIKeyQLYUABJJMVFNQQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.64
Rot. Bonds6

About N-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide

N-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide (PubChem CID 10544561) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide
PubChem CID10544561
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide
SMILESCC(=O)N(CC(Cc1ccccc1)CN(C(C)=O)C(C)=O)C(C)=O
InChIInChI=1S/C18H24N2O4/c1-13(21)19(14(2)22)11-18(10-17-8-6-5-7-9-17)12-20(15(3)23)16(4)24/h5-9,18H,10-12H2,1-4H3
InChIKeyQLYUABJJMVFNQQ-UHFFFAOYSA-N
XLogP1.64
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;1,1,1-trichloro-3-phenylpropan-2-ol
CID 174431181
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(3S)-3-chloro-4-phenylbutan-2-one
CID 93194172
3-benzylpentanoic acid
CID 57185920
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
2-chloro-4,4-dimethyl-1-phenylpentan-3-one
CID 82184980
2-amino-1-(2-methyloxiran-2-yl)-3-phenylpropan-1-one
CID 59360950
2-amino-1-[(2S)-2-methyloxiran-2-yl]-3-phenylpropan-1-one
CID 144572349
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride
CID 158951284

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide?
The IUPAC name of N-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide (CID 10544561) is N-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide.
What is the SMILES notation for N-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide?
The canonical SMILES for N-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide is CC(=O)N(CC(Cc1ccccc1)CN(C(C)=O)C(C)=O)C(C)=O.
What is the InChIKey of N-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide?
The InChIKey is QLYUABJJMVFNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13(21)19(14(2)22)11-18(10-17-8-6-5-7-9-17)12-20(15(3)23)16(4)24/h5-9,18H,10-12H2,1-4H3.
What are the key properties of N-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide?
N-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[2-benzyl-3-(diacetylamino)propyl]acetamide is sourced from PubChem (CID 10544561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).