N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide

C16H23N3O2 — CID 66007479

IUPACN-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C16H23N3O2/c1-11(20)19(2)10-13-5-3-4-6-15(13)18-16(21)12-7-8-14(17)9-12/h3-6,12,14H,7-10,17H2,1-2H3,(H,18,21)
InChIKeyUAMFTCVYKLEBIG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.73
Rot. Bonds4

About N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide (PubChem CID 66007479) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
PubChem CID66007479
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C16H23N3O2/c1-11(20)19(2)10-13-5-3-4-6-15(13)18-16(21)12-7-8-14(17)9-12/h3-6,12,14H,7-10,17H2,1-2H3,(H,18,21)
InChIKeyUAMFTCVYKLEBIG-UHFFFAOYSA-N
XLogP1.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.73
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
3-amino-N-[2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 66010603
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60867454
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 66010662
3-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 66030489
N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94180749
1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013
N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 67513883
N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
CID 31969965
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide
CID 65464216
3-amino-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119861390

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide?
The IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide (CID 66007479) is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide?
The canonical SMILES for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide is CC(=O)N(C)Cc1ccccc1NC(=O)C1CCC(N)C1.
What is the InChIKey of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide?
The InChIKey is UAMFTCVYKLEBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(20)19(2)10-13-5-3-4-6-15(13)18-16(21)12-7-8-14(17)9-12/h3-6,12,14H,7-10,17H2,1-2H3,(H,18,21).
What are the key properties of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide?
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide is sourced from PubChem (CID 66007479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).