2-(3-hex-1-enylphenyl)-N-[2-(propan-2-ylamino)ethyl]propanamide

C20H32N2O — CID 67174206

IUPAC2-(3-hex-1-enylphenyl)-N-[2-(propan-2-ylamino)ethyl]propanamide
SMILESCCCCC=Cc1cccc(C(C)C(=O)NCCNC(C)C)c1
InChIInChI=1S/C20H32N2O/c1-5-6-7-8-10-18-11-9-12-19(15-18)17(4)20(23)22-14-13-21-16(2)3/h8-12,15-17,21H,5-7,13-14H2,1-4H3,(H,22,23)
InChIKeyRGYHPFLGSHKWJQ-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.11
Rot. Bonds10

About 2-(3-hex-1-enylphenyl)-N-[2-(propan-2-ylamino)ethyl]propanamide

2-(3-hex-1-enylphenyl)-N-[2-(propan-2-ylamino)ethyl]propanamide (PubChem CID 67174206) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-(3-hex-1-enylphenyl)-N-[2-(propan-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-hex-1-enylphenyl)-N-[2-(propan-2-ylamino)ethyl]propanamide
PubChem CID67174206
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name2-(3-hex-1-enylphenyl)-N-[2-(propan-2-ylamino)ethyl]propanamide
SMILESCCCCC=Cc1cccc(C(C)C(=O)NCCNC(C)C)c1
InChIInChI=1S/C20H32N2O/c1-5-6-7-8-10-18-11-9-12-19(15-18)17(4)20(23)22-14-13-21-16(2)3/h8-12,15-17,21H,5-7,13-14H2,1-4H3,(H,22,23)
InChIKeyRGYHPFLGSHKWJQ-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 170488487
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3-[(E)-hex-1-enyl]phenol
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3-(3-hex-1-enylphenyl)prop-2-enoic acid
CID 57256540
N-butyl-2-phenylpropanamide
CID 101453557
2-(3-bromophenyl)-N-hexylpropanamide
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6-[3-(1-hydroxyhexyl)phenyl]-2-methylhex-5-enoic acid
CID 67713205
N-(hydroxymethyl)-3-tridec-1-enylbenzamide
CID 57068829
methyl 3-[(E)-hept-1-enyl]benzoate
CID 11148980
3-[(E)-dec-1-enyl]benzoic acid
CID 14233876
(2S)-2-amino-3-(3-undec-1-enylphenyl)propanoic acid
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1-[3-(6-hydroxyiminohex-1-enyl)phenyl]hexan-1-ol
CID 173326624

Frequently Asked Questions

What is the IUPAC name of 2-(3-hex-1-enylphenyl)-N-[2-(propan-2-ylamino)ethyl]propanamide?
The IUPAC name of 2-(3-hex-1-enylphenyl)-N-[2-(propan-2-ylamino)ethyl]propanamide (CID 67174206) is 2-(3-hex-1-enylphenyl)-N-[2-(propan-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 2-(3-hex-1-enylphenyl)-N-[2-(propan-2-ylamino)ethyl]propanamide?
The canonical SMILES for 2-(3-hex-1-enylphenyl)-N-[2-(propan-2-ylamino)ethyl]propanamide is CCCCC=Cc1cccc(C(C)C(=O)NCCNC(C)C)c1.
What is the InChIKey of 2-(3-hex-1-enylphenyl)-N-[2-(propan-2-ylamino)ethyl]propanamide?
The InChIKey is RGYHPFLGSHKWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-5-6-7-8-10-18-11-9-12-19(15-18)17(4)20(23)22-14-13-21-16(2)3/h8-12,15-17,21H,5-7,13-14H2,1-4H3,(H,22,23).
What are the key properties of 2-(3-hex-1-enylphenyl)-N-[2-(propan-2-ylamino)ethyl]propanamide?
2-(3-hex-1-enylphenyl)-N-[2-(propan-2-ylamino)ethyl]propanamide has a molecular weight of 316.49 g/mol, XLogP of 4.11, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hex-1-enylphenyl)-N-[2-(propan-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 67174206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).