1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide

C14H20N2O3 — CID 112558286

IUPAC1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)N(CCO)CCO)CC2)cc1
InChIInChI=1S/C14H20N2O3/c15-12-3-1-11(2-4-12)14(5-6-14)13(19)16(7-9-17)8-10-18/h1-4,17-18H,5-10,15H2
InChIKeyCOKCZNDSMNOGMB-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.11
Rot. Bonds6

About 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide (PubChem CID 112558286) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide
PubChem CID112558286
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide
SMILESNc1ccc(C2(C(=O)N(CCO)CCO)CC2)cc1
InChIInChI=1S/C14H20N2O3/c15-12-3-1-11(2-4-12)14(5-6-14)13(19)16(7-9-17)8-10-18/h1-4,17-18H,5-10,15H2
InChIKeyCOKCZNDSMNOGMB-UHFFFAOYSA-N
XLogP0.11
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 107479302
1-(4-aminophenyl)-N,N-bis(2-cyanoethyl)cyclopropane-1-carboxamide
CID 115913473
1-(4-aminophenyl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide
CID 112558169
1-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 60653694
1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide
CID 112558429
1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
CID 115913375
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 115913657
1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 107483376
1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide
CID 112558421
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
1-(4-aminophenyl)-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
CID 115913190
1-(4-aminophenyl)-N-[3-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 112558134

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide (CID 112558286) is 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide is Nc1ccc(C2(C(=O)N(CCO)CCO)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide?
The InChIKey is COKCZNDSMNOGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12-3-1-11(2-4-12)14(5-6-14)13(19)16(7-9-17)8-10-18/h1-4,17-18H,5-10,15H2.
What are the key properties of 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 112558286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).