N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide

C20H29N3O2 — CID 42193726

IUPACN-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN[C@@H]2CC(=O)N(C3CCCCCC3)C2)cc1
InChIInChI=1S/C20H29N3O2/c1-15(24)22-17-10-8-16(9-11-17)13-21-18-12-20(25)23(14-18)19-6-4-2-3-5-7-19/h8-11,18-19,21H,2-7,12-14H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyICWTZVQZIDSESG-GOSISDBHSA-N
MW343.47 g/mol
LogP3.06
Rot. Bonds5

About N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide

N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide (PubChem CID 42193726) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide
PubChem CID42193726
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN[C@@H]2CC(=O)N(C3CCCCCC3)C2)cc1
InChIInChI=1S/C20H29N3O2/c1-15(24)22-17-10-8-16(9-11-17)13-21-18-12-20(25)23(14-18)19-6-4-2-3-5-7-19/h8-11,18-19,21H,2-7,12-14H2,1H3,(H,22,24)/t18-/m1/s1
InChIKeyICWTZVQZIDSESG-GOSISDBHSA-N
XLogP3.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-4-[[4-(2-hydroxyethoxy)phenyl]methylamino]pyrrolidin-2-one
CID 45213710
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
1-cycloheptyl-4-(thiophen-3-ylmethylamino)pyrrolidin-2-one
CID 45219735
methyl 4-[[[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]methyl]benzoate
CID 45196937
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193
N-[4-[[[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide
CID 45226939
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
N-[4-[[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]amino]methyl]phenyl]acetamide
CID 154793256
N-[4-[[(3-methylcyclopentyl)amino]methyl]phenyl]acetamide
CID 115651788
tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate
CID 107239611
tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate
CID 107239571
1-cycloheptyl-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 86896330

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide (CID 42193726) is N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN[C@@H]2CC(=O)N(C3CCCCCC3)C2)cc1.
What is the InChIKey of N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide?
The InChIKey is ICWTZVQZIDSESG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15(24)22-17-10-8-16(9-11-17)13-21-18-12-20(25)23(14-18)19-6-4-2-3-5-7-19/h8-11,18-19,21H,2-7,12-14H2,1H3,(H,22,24)/t18-/m1/s1.
What are the key properties of N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide?
N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide has a molecular weight of 343.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 42193726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).