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

C16H24N2O2 — CID 120587665

IUPAC4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide
SMILESCOC(CN)CC(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C16H24N2O2/c1-20-14(11-17)10-15(19)18-12-16(8-5-9-16)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12,17H2,1H3,(H,18,19)
InChIKeyMNPACKNQHVUTJL-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.59
Rot. Bonds7

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

4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide (PubChem CID 120587665) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide
PubChem CID120587665
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide
SMILESCOC(CN)CC(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C16H24N2O2/c1-20-14(11-17)10-15(19)18-12-16(8-5-9-16)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12,17H2,1H3,(H,18,19)
InChIKeyMNPACKNQHVUTJL-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[1-(4-bromophenyl)cyclopentyl]methyl]-3-methoxybutanamide;hydrochloride
CID 120592963
4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide
CID 120592015
4-amino-3-methoxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]butanamide;hydrochloride
CID 120593447
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide
CID 120590246
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
2-(2-methoxyethylamino)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 119699125
3-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-phenylpropanamide
CID 119951110
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119950889
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
2-(2-methoxyethylamino)-N-[(1-phenylcyclopentyl)methyl]acetamide;hydrochloride
CID 119698187

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide (CID 120587665) is 4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide is COC(CN)CC(=O)NCC1(c2ccccc2)CCC1.
What is the InChIKey of 4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide?
The InChIKey is MNPACKNQHVUTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-14(11-17)10-15(19)18-12-16(8-5-9-16)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide?
4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide is sourced from PubChem (CID 120587665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).