2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide

C16H24N2O2 — CID 110481439

IUPAC2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide
SMILESCOc1ccc(C2(CNC(=O)C(N)C(C)C)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-11(2)14(17)15(19)18-10-16(8-9-16)12-4-6-13(20-3)7-5-12/h4-7,11,14H,8-10,17H2,1-3H3,(H,18,19)
InChIKeyVAYHQZRAEVLMPC-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.83
Rot. Bonds6

About 2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide

2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide (PubChem CID 110481439) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide
PubChem CID110481439
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide
SMILESCOc1ccc(C2(CNC(=O)C(N)C(C)C)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-11(2)14(17)15(19)18-10-16(8-9-16)12-4-6-13(20-3)7-5-12/h4-7,11,14H,8-10,17H2,1-3H3,(H,18,19)
InChIKeyVAYHQZRAEVLMPC-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-methylpentanamide
CID 119750018
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,2-diphenylacetamide
CID 113090745
3-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylpropanamide
CID 119749994
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-methylpentanamide;hydrochloride
CID 119772688
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
CID 47875472
1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 110445113
2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide
CID 75395672
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-1,1-dipropylurea
CID 113214648

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide (CID 110481439) is 2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide is COc1ccc(C2(CNC(=O)C(N)C(C)C)CC2)cc1.
What is the InChIKey of 2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide?
The InChIKey is VAYHQZRAEVLMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)14(17)15(19)18-10-16(8-9-16)12-4-6-13(20-3)7-5-12/h4-7,11,14H,8-10,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide?
2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide has a molecular weight of 276.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 110481439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).