2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide

C16H27N3O — CID 114928129

IUPAC2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide
SMILESCC(C)N(C)CCNC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C16H27N3O/c1-13(2)19(3)12-11-18-16(20)15(17)10-9-14-7-5-4-6-8-14/h4-8,13,15H,9-12,17H2,1-3H3,(H,18,20)
InChIKeyVOMVEYWLTGRIPT-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.40
Rot. Bonds8

About 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide

2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide (PubChem CID 114928129) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide
PubChem CID114928129
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide
SMILESCC(C)N(C)CCNC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C16H27N3O/c1-13(2)19(3)12-11-18-16(20)15(17)10-9-14-7-5-4-6-8-14/h4-8,13,15H,9-12,17H2,1-3H3,(H,18,20)
InChIKeyVOMVEYWLTGRIPT-UHFFFAOYSA-N
XLogP1.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(diethylamino)ethyl]-4-phenylbutanamide
CID 114924642
(2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 104984289
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide
CID 106047732
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
2-[[(2S)-2-amino-4-phenylbutanoyl]amino]ethyl carbamate
CID 104984749
2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 114924624
(2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide
CID 104984735
2-amino-3-(4-hydroxyphenyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 76947546
(2S)-2-amino-N-(5-hydroxy-4-methylpentyl)-4-phenylbutanamide
CID 106161296
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide?
The IUPAC name of 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide (CID 114928129) is 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide is CC(C)N(C)CCNC(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide?
The InChIKey is VOMVEYWLTGRIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)19(3)12-11-18-16(20)15(17)10-9-14-7-5-4-6-8-14/h4-8,13,15H,9-12,17H2,1-3H3,(H,18,20).
What are the key properties of 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide?
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide has a molecular weight of 277.41 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-phenylbutanamide is sourced from PubChem (CID 114928129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).