N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide

C14H19NO2 — CID 89181328

IUPACN-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide
SMILESCCCCC(=O)[C@H](Cc1ccccc1)NC=O
InChIInChI=1S/C14H19NO2/c1-2-3-9-14(17)13(15-11-16)10-12-7-5-4-6-8-12/h4-8,11,13H,2-3,9-10H2,1H3,(H,15,16)/t13-/m0/s1
InChIKeyOZAUXTCEZOIWPQ-ZDUSSCGKSA-N
MW233.31 g/mol
LogP2.10
Rot. Bonds8

About N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide

N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide (PubChem CID 89181328) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide
PubChem CID89181328
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide
SMILESCCCCC(=O)[C@H](Cc1ccccc1)NC=O
InChIInChI=1S/C14H19NO2/c1-2-3-9-14(17)13(15-11-16)10-12-7-5-4-6-8-12/h4-8,11,13H,2-3,9-10H2,1H3,(H,15,16)/t13-/m0/s1
InChIKeyOZAUXTCEZOIWPQ-ZDUSSCGKSA-N
XLogP2.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363
2-formamido-N-methyl-3-phenylpropanamide
CID 14245854
methyl 2-formamido-3-phenylpropanoate
CID 595529
4-[[(2S)-2-formamido-3-phenylpropanoyl]amino]butanoic acid
CID 89041039
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 143986713
2-amino-1-phenylheptan-3-one;hydrochloride
CID 142731464
N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide
CID 159234420
(2R)-2-formamido-N,3-diphenylpropanamide
CID 167282540
2-formamido-3-phenylpropanoic acid;pyrazine
CID 174670017
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide?
The IUPAC name of N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide (CID 89181328) is N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide?
The canonical SMILES for N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide is CCCCC(=O)[C@H](Cc1ccccc1)NC=O.
What is the InChIKey of N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide?
The InChIKey is OZAUXTCEZOIWPQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-3-9-14(17)13(15-11-16)10-12-7-5-4-6-8-12/h4-8,11,13H,2-3,9-10H2,1H3,(H,15,16)/t13-/m0/s1.
What are the key properties of N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide?
N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide has a molecular weight of 233.31 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide is sourced from PubChem (CID 89181328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).