4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide

C18H28N2O3 — CID 120592015

IUPAC4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide
SMILESCOc1cccc(C2(CNC(=O)CC(CN)OC)CCCC2)c1
InChIInChI=1S/C18H28N2O3/c1-22-15-7-5-6-14(10-15)18(8-3-4-9-18)13-20-17(21)11-16(12-19)23-2/h5-7,10,16H,3-4,8-9,11-13,19H2,1-2H3,(H,20,21)
InChIKeyYKMHFHJCQSSMSB-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.99
Rot. Bonds8

About 4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide

4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide (PubChem CID 120592015) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide
PubChem CID120592015
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide
SMILESCOc1cccc(C2(CNC(=O)CC(CN)OC)CCCC2)c1
InChIInChI=1S/C18H28N2O3/c1-22-15-7-5-6-14(10-15)18(8-3-4-9-18)13-20-17(21)11-16(12-19)23-2/h5-7,10,16H,3-4,8-9,11-13,19H2,1-2H3,(H,20,21)
InChIKeyYKMHFHJCQSSMSB-UHFFFAOYSA-N
XLogP1.99
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide
CID 120587665
4-amino-3-methoxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]butanamide;hydrochloride
CID 120593447
4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride
CID 120592963
4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide
CID 120590246
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
2-amino-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792751
4-[[1-(3-methoxyphenyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001389
4-hydroxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119780127
1-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 111109756
3-amino-4-[[1-(3-methoxyphenyl)cyclopentyl]methylamino]cyclobut-3-ene-1,2-dione
CID 167876645
N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511751
4-amino-3-methoxy-N-[1-(3-methylphenyl)cyclopentyl]butanamide
CID 120591466

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide (CID 120592015) is 4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide is COc1cccc(C2(CNC(=O)CC(CN)OC)CCCC2)c1.
What is the InChIKey of 4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide?
The InChIKey is YKMHFHJCQSSMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-22-15-7-5-6-14(10-15)18(8-3-4-9-18)13-20-17(21)11-16(12-19)23-2/h5-7,10,16H,3-4,8-9,11-13,19H2,1-2H3,(H,20,21).
What are the key properties of 4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide?
4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide has a molecular weight of 320.43 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide is sourced from PubChem (CID 120592015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).