1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide

C19H29N3O4 — CID 74249427

IUPAC1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide
SMILESCCOCCOc1ccccc1NC(=O)NC1(C(N)=O)CCCCCC1
InChIInChI=1S/C19H29N3O4/c1-2-25-13-14-26-16-10-6-5-9-15(16)21-18(24)22-19(17(20)23)11-7-3-4-8-12-19/h5-6,9-10H,2-4,7-8,11-14H2,1H3,(H2,20,23)(H2,21,22,24)
InChIKeyCHPGOYRJOCDCIE-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.80
Rot. Bonds8

About 1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide

1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide (PubChem CID 74249427) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide
PubChem CID74249427
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide
SMILESCCOCCOc1ccccc1NC(=O)NC1(C(N)=O)CCCCCC1
InChIInChI=1S/C19H29N3O4/c1-2-25-13-14-26-16-10-6-5-9-15(16)21-18(24)22-19(17(20)23)11-7-3-4-8-12-19/h5-6,9-10H,2-4,7-8,11-14H2,1H3,(H2,20,23)(H2,21,22,24)
InChIKeyCHPGOYRJOCDCIE-UHFFFAOYSA-N
XLogP2.80
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-ethoxyethoxy)phenyl]-3-[(3S)-1-oxaspiro[4.4]nonan-3-yl]urea
CID 97434869
1-[(1-hydroxycyclopentyl)methyl]-3-(2-propoxyphenyl)urea
CID 111103515
2-[cyclohexyl(methyl)amino]-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 54817307
N-[2-(2-ethoxyethoxy)phenyl]-2-phenylacetamide
CID 17134061
1-[(2-ethoxyphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 6487888
2-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134034
3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide
CID 118791173
(3R)-3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide
CID 125179829
N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide
CID 17134093
N-[2-(2-ethoxyethoxy)phenyl]-2-(2-methoxyanilino)acetamide
CID 54817500
1,3-bis(2-butoxyphenyl)urea
CID 17170447
3-(3-aminophenyl)-N-[2-(2-ethoxyethoxy)phenyl]propanamide
CID 54795275

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide?
The IUPAC name of 1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide (CID 74249427) is 1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide?
The canonical SMILES for 1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide is CCOCCOc1ccccc1NC(=O)NC1(C(N)=O)CCCCCC1.
What is the InChIKey of 1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide?
The InChIKey is CHPGOYRJOCDCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-2-25-13-14-26-16-10-6-5-9-15(16)21-18(24)22-19(17(20)23)11-7-3-4-8-12-19/h5-6,9-10H,2-4,7-8,11-14H2,1H3,(H2,20,23)(H2,21,22,24).
What are the key properties of 1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide?
1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-ethoxyethoxy)phenyl]carbamoylamino]cycloheptane-1-carboxamide is sourced from PubChem (CID 74249427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).