2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide

C15H23N3O — CID 116693782

IUPAC2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide
SMILESCN(CCC(N)(C(N)=O)c1ccccc1)CC1CC1
InChIInChI=1S/C15H23N3O/c1-18(11-12-7-8-12)10-9-15(17,14(16)19)13-5-3-2-4-6-13/h2-6,12H,7-11,17H2,1H3,(H2,16,19)
InChIKeyVTIRQRDLDATGAO-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.06
Rot. Bonds7

About 2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide

2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide (PubChem CID 116693782) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide.

Molecular Properties

Compound Name2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide
PubChem CID116693782
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide
SMILESCN(CCC(N)(C(N)=O)c1ccccc1)CC1CC1
InChIInChI=1S/C15H23N3O/c1-18(11-12-7-8-12)10-9-15(17,14(16)19)13-5-3-2-4-6-13/h2-6,12H,7-11,17H2,1H3,(H2,16,19)
InChIKeyVTIRQRDLDATGAO-UHFFFAOYSA-N
XLogP1.06
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide
CID 116693883
2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide
CID 116693835
2-amino-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanamide
CID 116693896
2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide
CID 116693918
2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide
CID 116694375
methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate
CID 116693670
2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide
CID 116693503
2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide
CID 63210905
2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501
N-(cyclopropylmethyl)-2-hydroxy-N-methyl-2,2-diphenylacetamide
CID 110901041
2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutanoic acid
CID 62861052
2-amino-4-(4-iodopyrazol-1-yl)-2-phenylbutanamide
CID 116694055

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide?
The IUPAC name of 2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide (CID 116693782) is 2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide.
What is the SMILES notation for 2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide?
The canonical SMILES for 2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide is CN(CCC(N)(C(N)=O)c1ccccc1)CC1CC1.
What is the InChIKey of 2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide?
The InChIKey is VTIRQRDLDATGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(11-12-7-8-12)10-9-15(17,14(16)19)13-5-3-2-4-6-13/h2-6,12H,7-11,17H2,1H3,(H2,16,19).
What are the key properties of 2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide?
2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide has a molecular weight of 261.37 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide is sourced from PubChem (CID 116693782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).