N-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide

C16H19NO2 — CID 113330071

IUPACN-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide
SMILESC#CCN(CC1CC1)C(=O)c1ccc(OCC)cc1
InChIInChI=1S/C16H19NO2/c1-3-11-17(12-13-5-6-13)16(18)14-7-9-15(10-8-14)19-4-2/h1,7-10,13H,4-6,11-12H2,2H3
InChIKeyXCOXDAKYDPWZKV-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.57
Rot. Bonds6

About N-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide

N-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide (PubChem CID 113330071) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide
PubChem CID113330071
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide
SMILESC#CCN(CC1CC1)C(=O)c1ccc(OCC)cc1
InChIInChI=1S/C16H19NO2/c1-3-11-17(12-13-5-6-13)16(18)14-7-9-15(10-8-14)19-4-2/h1,7-10,13H,4-6,11-12H2,2H3
InChIKeyXCOXDAKYDPWZKV-UHFFFAOYSA-N
XLogP2.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(cyclopropylmethyl)-N-prop-2-ynylbenzamide
CID 115532633
4-ethoxy-N-ethyl-N-(piperidin-4-ylmethyl)benzamide
CID 79698338
N-(cyclopropylmethyl)-3,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532487
3-bromo-N-(cyclopropylmethyl)-4-methyl-N-prop-2-ynylbenzamide
CID 113330065
N-(cyclopropylmethyl)-3-fluoro-4-methoxy-N-prop-2-ynylbenzamide
CID 115532616
N-(cyclopropylmethyl)-2-hydroxy-4-methoxy-N-prop-2-ynylbenzamide
CID 115532759
N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide
CID 115532695
N,N-bis(cyanomethyl)-4-ethoxybenzamide
CID 710517
4-methoxy-N,N-bis(prop-2-ynyl)benzamide
CID 117063834
N-(cyclopropylmethyl)-N-prop-2-ynyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999288
2-[(4-propoxybenzoyl)-prop-2-ynylamino]acetic acid
CID 79279952
N-(cyclopropylmethyl)-2,6-difluoro-N-prop-2-ynylbenzamide
CID 115532787

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide (CID 113330071) is N-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide is C#CCN(CC1CC1)C(=O)c1ccc(OCC)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide?
The InChIKey is XCOXDAKYDPWZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-11-17(12-13-5-6-13)16(18)14-7-9-15(10-8-14)19-4-2/h1,7-10,13H,4-6,11-12H2,2H3.
What are the key properties of N-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide?
N-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide has a molecular weight of 257.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-ethoxy-N-prop-2-ynylbenzamide is sourced from PubChem (CID 113330071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).