N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide

C16H23N3O3 — CID 82034531

IUPACN-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCO2)cc1NC(=O)CCN
InChIInChI=1S/C16H23N3O3/c1-2-11-5-6-12(10-13(11)19-15(20)7-8-17)18-16(21)14-4-3-9-22-14/h5-6,10,14H,2-4,7-9,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyJGXWYSPEDQHYLH-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.65
Rot. Bonds6

About N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide

N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide (PubChem CID 82034531) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide
PubChem CID82034531
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide
SMILESCCc1ccc(NC(=O)C2CCCO2)cc1NC(=O)CCN
InChIInChI=1S/C16H23N3O3/c1-2-11-5-6-12(10-13(11)19-15(20)7-8-17)18-16(21)14-4-3-9-22-14/h5-6,10,14H,2-4,7-9,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyJGXWYSPEDQHYLH-UHFFFAOYSA-N
XLogP1.65
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]oxolane-2-carboxamide
CID 82034969
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide
CID 82034303
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
3-amino-N-[2-ethyl-5-(phenylcarbamoylamino)phenyl]propanamide
CID 82034549
N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide
CID 82034964
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305213
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide
CID 82034974
ethyl N-[2-methoxy-4-(oxolane-2-carbonylamino)phenyl]carbamate
CID 5305676
(2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]oxolane-2-carboxamide
CID 38396649
(2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide
CID 93441465
N-[4-[3-(2-fluorophenyl)sulfanylpropanoylamino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782086

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide (CID 82034531) is N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide is CCc1ccc(NC(=O)C2CCCO2)cc1NC(=O)CCN.
What is the InChIKey of N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide?
The InChIKey is JGXWYSPEDQHYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-11-5-6-12(10-13(11)19-15(20)7-8-17)18-16(21)14-4-3-9-22-14/h5-6,10,14H,2-4,7-9,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide?
N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropanoylamino)-4-ethylphenyl]oxolane-2-carboxamide is sourced from PubChem (CID 82034531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).