3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide

C16H25N3O2 — CID 115748700

IUPAC3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
SMILESCC(NC(=O)CC(N)c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H25N3O2/c1-11(15(21)19-16(2,3)4)18-14(20)10-13(17)12-8-6-5-7-9-12/h5-9,11,13H,10,17H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyRWQPOMGBENLSLE-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.50
Rot. Bonds5

About 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide

3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide (PubChem CID 115748700) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
PubChem CID115748700
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
SMILESCC(NC(=O)CC(N)c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H25N3O2/c1-11(15(21)19-16(2,3)4)18-14(20)10-13(17)12-8-6-5-7-9-12/h5-9,11,13H,10,17H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyRWQPOMGBENLSLE-UHFFFAOYSA-N
XLogP1.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
2-[[(2S)-2-amino-2-phenylacetyl]amino]-N-tert-butylpropanamide
CID 104898367
3-amino-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119950764
2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride
CID 119748180
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237
3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952044
2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 61157521
(2R)-2-[(3-amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid
CID 79010019
3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
CID 119948730
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119949428

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide (CID 115748700) is 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide is CC(NC(=O)CC(N)c1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide?
The InChIKey is RWQPOMGBENLSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(15(21)19-16(2,3)4)18-14(20)10-13(17)12-8-6-5-7-9-12/h5-9,11,13H,10,17H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide?
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 115748700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).