2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide

C14H21N3O2 — CID 43401445

IUPAC2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
SMILESCC(C)NC(=O)CNC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-10(2)16-13(18)9-15-11(3)14(19)17-12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyDNVOSXXGCFBNMM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.13
Rot. Bonds6

About 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide

2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide (PubChem CID 43401445) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
PubChem CID43401445
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
SMILESCC(C)NC(=O)CNC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C14H21N3O2/c1-10(2)16-13(18)9-15-11(3)14(19)17-12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyDNVOSXXGCFBNMM-UHFFFAOYSA-N
XLogP1.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
CID 97018627
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 115574236
(2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide
CID 8771908
2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide
CID 112696312
(2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 8771858
2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
CID 93035071
N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide
CID 43499919
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide
CID 115454689

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide?
The IUPAC name of 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide (CID 43401445) is 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide.
What is the SMILES notation for 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide?
The canonical SMILES for 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide is CC(C)NC(=O)CNC(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide?
The InChIKey is DNVOSXXGCFBNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)16-13(18)9-15-11(3)14(19)17-12-7-5-4-6-8-12/h4-8,10-11,15H,9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide?
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide is sourced from PubChem (CID 43401445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).