molecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one

C14H23NO — CID 176556293

IUPACmolecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one
SMILESCCC(=O)C(Cc1ccccc1)NC(C)C.[H][H]
InChIInChI=1S/C14H21NO.H2/c1-4-14(16)13(15-11(2)3)10-12-8-6-5-7-9-12;/h5-9,11,13,15H,4,10H2,1-3H3;1H
InChIKeyORUJFMJUTYAUNV-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.82
Rot. Bonds6

About molecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one

molecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one (PubChem CID 176556293) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is molecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one.

Molecular Properties

Compound Namemolecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one
PubChem CID176556293
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Namemolecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one
SMILESCCC(=O)C(Cc1ccccc1)NC(C)C.[H][H]
InChIInChI=1S/C14H21NO.H2/c1-4-14(16)13(15-11(2)3)10-12-8-6-5-7-9-12;/h5-9,11,13,15H,4,10H2,1-3H3;1H
InChIKeyORUJFMJUTYAUNV-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-3-(propan-2-ylamino)butan-2-one
CID 70861982
N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide
CID 67616558
2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide
CID 67704235
butyl 3-phenyl-2-(propan-2-ylamino)propanoate
CID 146262940
N-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide
CID 171756988
tert-butyl 3-phenyl-2-(propan-2-ylamino)propanoate
CID 166781222
tert-butyl (2S)-3-phenyl-2-(propan-2-ylamino)propanoate;sulfane
CID 159183112
tert-butyl N-(3-oxo-1-phenylpentan-2-yl)carbamate
CID 20726658
2-[[(1S)-1-carboxyethyl]amino]-3-phenylpropanoic acid
CID 155261941
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 67559512

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one?
The IUPAC name of molecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one (CID 176556293) is molecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one.
What is the SMILES notation for molecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one?
The canonical SMILES for molecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one is CCC(=O)C(Cc1ccccc1)NC(C)C.[H][H].
What is the InChIKey of molecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one?
The InChIKey is ORUJFMJUTYAUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.H2/c1-4-14(16)13(15-11(2)3)10-12-8-6-5-7-9-12;/h5-9,11,13,15H,4,10H2,1-3H3;1H.
What are the key properties of molecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one?
molecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one has a molecular weight of 221.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one is sourced from PubChem (CID 176556293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).