3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide

C16H25N3O2 — CID 103812839

IUPAC3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide
SMILESCNC(=O)C(C)CN(C)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-11(15(20)18-3)10-19(4)16(21)12(2)14(17)13-8-6-5-7-9-13/h5-9,11-12,14H,10,17H2,1-4H3,(H,18,20)
InChIKeyWEVPCYAXSHNQCI-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.16
Rot. Bonds6

About 3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide

3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide (PubChem CID 103812839) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide
PubChem CID103812839
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide
SMILESCNC(=O)C(C)CN(C)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-11(15(20)18-3)10-19(4)16(21)12(2)14(17)13-8-6-5-7-9-13/h5-9,11-12,14H,10,17H2,1-4H3,(H,18,20)
InChIKeyWEVPCYAXSHNQCI-UHFFFAOYSA-N
XLogP1.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119682920
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873
3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
CID 107199250
3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide
CID 119681290
3-amino-N-(2-ethoxyethyl)-N,2-dimethyl-3-phenylpropanamide
CID 81059342
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methyl-3-phenylpropanamide
CID 103109133
3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide
CID 119836141
2-[(3-amino-2-methyl-3-phenylpropanoyl)-methylamino]propanoic acid
CID 80552081
3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119958567
(2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 119818699
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide
CID 107037305

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide (CID 103812839) is 3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide is CNC(=O)C(C)CN(C)C(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide?
The InChIKey is WEVPCYAXSHNQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(15(20)18-3)10-19(4)16(21)12(2)14(17)13-8-6-5-7-9-13/h5-9,11-12,14H,10,17H2,1-4H3,(H,18,20).
What are the key properties of 3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide?
3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide is sourced from PubChem (CID 103812839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).