2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide

C14H21N3O2 — CID 114925251

IUPAC2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide
SMILESCNC(=O)CN(C)C(=O)C(N)CCc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-16-13(18)10-17(2)14(19)12(15)9-8-11-6-4-3-5-7-11/h3-7,12H,8-10,15H2,1-2H3,(H,16,18)
InChIKeyKDEBNLSFEICSAC-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.15
Rot. Bonds6

About 2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide

2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide (PubChem CID 114925251) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide
PubChem CID114925251
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide
SMILESCNC(=O)CN(C)C(=O)C(N)CCc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-16-13(18)10-17(2)14(19)12(15)9-8-11-6-4-3-5-7-11/h3-7,12H,8-10,15H2,1-2H3,(H,16,18)
InChIKeyKDEBNLSFEICSAC-UHFFFAOYSA-N
XLogP0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-butyl-N-methyl-4-phenylbutanamide
CID 114924840
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
(2S)-2-amino-N-[3-(methylamino)-3-oxopropyl]-4-phenylbutanamide
CID 104984281
(2S)-2-amino-N',N'-dimethyl-4-phenylbutanehydrazide
CID 104984735
(2S)-2-amino-N-(2-ethoxyethyl)-N-methyl-4-phenylbutanamide
CID 104984632
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-phenylbutanamide
CID 104984250
2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide
CID 114928737
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270
(2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride
CID 119272094
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate
CID 9016204
(2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide
CID 104983828

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide?
The IUPAC name of 2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide (CID 114925251) is 2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide is CNC(=O)CN(C)C(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide?
The InChIKey is KDEBNLSFEICSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-13(18)10-17(2)14(19)12(15)9-8-11-6-4-3-5-7-11/h3-7,12H,8-10,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide?
2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]-4-phenylbutanamide is sourced from PubChem (CID 114925251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).