N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide

C18H27NO3 — CID 100713654

IUPACN-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC)cc2)CCCCCC1
InChIInChI=1S/C18H27NO3/c1-3-14-22-18(12-6-4-5-7-13-18)17(20)19-15-8-10-16(21-2)11-9-15/h8-11H,3-7,12-14H2,1-2H3,(H,19,20)
InChIKeyQNBHCQDSZFPPDC-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.15
Rot. Bonds6

About N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide

N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide (PubChem CID 100713654) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
PubChem CID100713654
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OC)cc2)CCCCCC1
InChIInChI=1S/C18H27NO3/c1-3-14-22-18(12-6-4-5-7-13-18)17(20)19-15-8-10-16(21-2)11-9-15/h8-11H,3-7,12-14H2,1-2H3,(H,19,20)
InChIKeyQNBHCQDSZFPPDC-UHFFFAOYSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712217
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100713755
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-propoxycyclohexane-1-carboxamide
CID 100713205
N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100730341
N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712623
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561
N-(3-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767233
N-(2-cyano-4-methoxyphenyl)-1-propoxycyclohexane-1-carboxamide
CID 100767273
N-(2-cyano-4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100767499
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100767379
cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100714327

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide (CID 100713654) is N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide is CCCOC1(C(=O)Nc2ccc(OC)cc2)CCCCCC1.
What is the InChIKey of N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide?
The InChIKey is QNBHCQDSZFPPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-3-14-22-18(12-6-4-5-7-13-18)17(20)19-15-8-10-16(21-2)11-9-15/h8-11H,3-7,12-14H2,1-2H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide?
N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide is sourced from PubChem (CID 100713654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).