2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide

C15H21N3O2 — CID 129432653

IUPAC2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide
SMILESC=CC[C@@H](CC)NC(=O)NCC(=O)Nc1ccccc1
InChIInChI=1S/C15H21N3O2/c1-3-8-12(4-2)18-15(20)16-11-14(19)17-13-9-6-5-7-10-13/h3,5-7,9-10,12H,1,4,8,11H2,2H3,(H,17,19)(H2,16,18,20)/t12-/m1/s1
InChIKeyGMALKIIOLOQASX-GFCCVEGCSA-N
MW275.35 g/mol
LogP2.28
Rot. Bonds7

About 2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide

2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide (PubChem CID 129432653) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide
PubChem CID129432653
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide
SMILESC=CC[C@@H](CC)NC(=O)NCC(=O)Nc1ccccc1
InChIInChI=1S/C15H21N3O2/c1-3-8-12(4-2)18-15(20)16-11-14(19)17-13-9-6-5-7-10-13/h3,5-7,9-10,12H,1,4,8,11H2,2H3,(H,17,19)(H2,16,18,20)/t12-/m1/s1
InChIKeyGMALKIIOLOQASX-GFCCVEGCSA-N
XLogP2.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoate
CID 61381164
2-[[2-(phenylcarbamoylamino)acetyl]amino]propanoic acid
CID 43170816
1-(5-methylhexan-3-yl)-3-phenylurea
CID 19835712
4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide
CID 100681192
1-[(3S)-hex-5-en-3-yl]-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 129432308
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea
CID 124887450
2-(ethoxyamino)-N-phenylacetamide
CID 60702684
ethane;methane;N-phenylpropanamide
CID 159778408
N-hept-1-en-4-yl-2-phenylacetamide
CID 10331469
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
2-(phenylcarbamoylamino)butyl N-phenylcarbamate
CID 123547961
(2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide
CID 110304578

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide?
The IUPAC name of 2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide (CID 129432653) is 2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide?
The canonical SMILES for 2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide is C=CC[C@@H](CC)NC(=O)NCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide?
The InChIKey is GMALKIIOLOQASX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-8-12(4-2)18-15(20)16-11-14(19)17-13-9-6-5-7-10-13/h3,5-7,9-10,12H,1,4,8,11H2,2H3,(H,17,19)(H2,16,18,20)/t12-/m1/s1.
What are the key properties of 2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide?
2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide has a molecular weight of 275.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide is sourced from PubChem (CID 129432653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).