N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide

C19H27N3O3 — CID 94180749

IUPACN-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)[C@@H](C)NC(=O)C1CCCC1
InChIInChI=1S/C19H27N3O3/c1-13(20-19(25)15-8-4-5-9-15)18(24)21-17-11-7-6-10-16(17)12-22(3)14(2)23/h6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3,(H,20,25)(H,21,24)/t13-/m1/s1
InChIKeyVBBIQHCLNZBXNG-CYBMUJFWSA-N
MW345.44 g/mol
LogP2.30
Rot. Bonds6

About N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide

N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide (PubChem CID 94180749) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
PubChem CID94180749
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)[C@@H](C)NC(=O)C1CCCC1
InChIInChI=1S/C19H27N3O3/c1-13(20-19(25)15-8-4-5-9-15)18(24)21-17-11-7-6-10-16(17)12-22(3)14(2)23/h6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3,(H,20,25)(H,21,24)/t13-/m1/s1
InChIKeyVBBIQHCLNZBXNG-CYBMUJFWSA-N
XLogP2.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide
CID 43704943
N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
CID 31969965
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide
CID 32582405
(2R)-2-[[2-[[acetyl(methyl)amino]methyl]phenyl]carbamoylamino]-N-[(2R)-butan-2-yl]propanamide
CID 94959778
N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
CID 43692065
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
CID 66007479
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide
CID 80543349
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60867454
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide
CID 43692073
1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide (CID 94180749) is N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide is CC(=O)N(C)Cc1ccccc1NC(=O)[C@@H](C)NC(=O)C1CCCC1.
What is the InChIKey of N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The InChIKey is VBBIQHCLNZBXNG-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13(20-19(25)15-8-4-5-9-15)18(24)21-17-11-7-6-10-16(17)12-22(3)14(2)23/h6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3,(H,20,25)(H,21,24)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 94180749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).