3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide

C17H29N3O — CID 24694165

IUPAC3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide
SMILESCC(C)N(CCNC(=O)CC(N)c1ccccc1)C(C)C
InChIInChI=1S/C17H29N3O/c1-13(2)20(14(3)4)11-10-19-17(21)12-16(18)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12,18H2,1-4H3,(H,19,21)
InChIKeyCBVBCAUYQGXQKZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.31
Rot. Bonds8

About 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide

3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide (PubChem CID 24694165) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide
PubChem CID24694165
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide
SMILESCC(C)N(CCNC(=O)CC(N)c1ccccc1)C(C)C
InChIInChI=1S/C17H29N3O/c1-13(2)20(14(3)4)11-10-19-17(21)12-16(18)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12,18H2,1-4H3,(H,19,21)
InChIKeyCBVBCAUYQGXQKZ-UHFFFAOYSA-N
XLogP2.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953402
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159
3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide
CID 115748650
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide
CID 119950039
3-amino-N-[2-(ethylsulfonylamino)ethyl]-3-phenylpropanamide
CID 119949886
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride
CID 119950038
3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide
CID 103823697
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
(2R)-2-(dimethylamino)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 97017597
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide
CID 63226653

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide (CID 24694165) is 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide is CC(C)N(CCNC(=O)CC(N)c1ccccc1)C(C)C.
What is the InChIKey of 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide?
The InChIKey is CBVBCAUYQGXQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)20(14(3)4)11-10-19-17(21)12-16(18)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12,18H2,1-4H3,(H,19,21).
What are the key properties of 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide?
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide has a molecular weight of 291.44 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 24694165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).