2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide

C16H16N2O — CID 43420257

IUPAC2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O/c1-3-10-17-16(19)12(2)18-15-9-8-13-6-4-5-7-14(13)11-15/h1,4-9,11-12,18H,10H2,2H3,(H,17,19)
InChIKeyHRLMWKHLUYECIS-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.39
Rot. Bonds4

About 2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide

2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide (PubChem CID 43420257) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide
PubChem CID43420257
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O/c1-3-10-17-16(19)12(2)18-15-9-8-13-6-4-5-7-14(13)11-15/h1,4-9,11-12,18H,10H2,2H3,(H,17,19)
InChIKeyHRLMWKHLUYECIS-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-N-prop-2-ynylpropanamide
CID 43112793
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
CID 43420253
2-(4-phenylanilino)-N-prop-2-ynylpropanamide
CID 60720749
2-(naphthalen-2-ylamino)-N-pentylpropanamide
CID 43420250
2-(4-fluoro-3-methylanilino)-N-prop-2-ynylpropanamide
CID 55118922
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-prop-2-ynylpropanamide
CID 47157501
(2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide
CID 28884943
N-tert-butyl-2-(naphthalen-2-ylamino)propanamide
CID 43401178
N-prop-2-ynyl-2-[3-(trifluoromethyl)anilino]propanamide
CID 43112941
4-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]benzamide
CID 43112981
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-prop-2-ynylpropanamide
CID 43113643

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide?
The IUPAC name of 2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide (CID 43420257) is 2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide?
The InChIKey is HRLMWKHLUYECIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-3-10-17-16(19)12(2)18-15-9-8-13-6-4-5-7-14(13)11-15/h1,4-9,11-12,18H,10H2,2H3,(H,17,19).
What are the key properties of 2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide?
2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide has a molecular weight of 252.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 43420257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).