N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide

C16H22N2O4 — CID 51153110

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCCNC(=O)C2CC2)ccc1OC
InChIInChI=1S/C16H22N2O4/c1-3-22-14-10-12(6-7-13(14)21-2)16(20)18-9-8-17-15(19)11-4-5-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGBJQJFMNEXSSNP-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.35
Rot. Bonds8

About N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide

N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide (PubChem CID 51153110) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
PubChem CID51153110
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCCNC(=O)C2CC2)ccc1OC
InChIInChI=1S/C16H22N2O4/c1-3-22-14-10-12(6-7-13(14)21-2)16(20)18-9-8-17-15(19)11-4-5-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyGBJQJFMNEXSSNP-UHFFFAOYSA-N
XLogP1.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
CID 18109976
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzamide
CID 121062396
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328596
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55853763

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide (CID 51153110) is N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)NCCNC(=O)C2CC2)ccc1OC.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide?
The InChIKey is GBJQJFMNEXSSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-22-14-10-12(6-7-13(14)21-2)16(20)18-9-8-17-15(19)11-4-5-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide has a molecular weight of 306.36 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 51153110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).