1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide

C16H21ClN2O2 — CID 119749400

IUPAC1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)CC1
InChIInChI=1S/C16H21ClN2O2/c17-13-3-1-12(2-4-13)15(7-9-21-10-8-15)11-19-14(20)16(18)5-6-16/h1-4H,5-11,18H2,(H,19,20)
InChIKeyJLQXLZNJILQRKM-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.00
Rot. Bonds4

About 1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide

1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 119749400) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
PubChem CID119749400
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)CC1
InChIInChI=1S/C16H21ClN2O2/c17-13-3-1-12(2-4-13)15(7-9-21-10-8-15)11-19-14(20)16(18)5-6-16/h1-4H,5-11,18H2,(H,19,20)
InChIKeyJLQXLZNJILQRKM-UHFFFAOYSA-N
XLogP2.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317240
1-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315664
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide
CID 120930589
1-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 119314904
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120927834
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120930158
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylpentanamide;hydrochloride
CID 119749451
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]buta-2,3-dienamide
CID 176519551
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014293

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide (CID 119749400) is 1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide is NC1(C(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)CC1.
What is the InChIKey of 1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is JLQXLZNJILQRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-13-3-1-12(2-4-13)15(7-9-21-10-8-15)11-19-14(20)16(18)5-6-16/h1-4H,5-11,18H2,(H,19,20).
What are the key properties of 1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide?
1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119749400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).