N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide

C19H28N2O4 — CID 100713755

IUPACN-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCCCC1
InChIInChI=1S/C19H28N2O4/c1-2-13-25-19(11-5-3-4-6-12-19)18(23)21-15-7-9-16(10-8-15)24-14-17(20)22/h7-10H,2-6,11-14H2,1H3,(H2,20,22)(H,21,23)
InChIKeyPWUYPOGKTKGHCU-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.01
Rot. Bonds8

About N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide

N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide (PubChem CID 100713755) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide
PubChem CID100713755
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCCCC1
InChIInChI=1S/C19H28N2O4/c1-2-13-25-19(11-5-3-4-6-12-19)18(23)21-15-7-9-16(10-8-15)24-14-17(20)22/h7-10H,2-6,11-14H2,1H3,(H2,20,22)(H,21,23)
InChIKeyPWUYPOGKTKGHCU-UHFFFAOYSA-N
XLogP3.01
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712217
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
CID 99822465
N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100713654
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-propoxycyclohexane-1-carboxamide
CID 100713205
N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100730341
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561
cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100714327
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-cyanocyclohexane-1-carboxamide
CID 60584279
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 133246150
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide
CID 100730652
N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-1-propoxycyclopentane-1-carboxamide
CID 133246343
N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide
CID 100731388

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide (CID 100713755) is N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide is CCCOC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCCCC1.
What is the InChIKey of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide?
The InChIKey is PWUYPOGKTKGHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-2-13-25-19(11-5-3-4-6-12-19)18(23)21-15-7-9-16(10-8-15)24-14-17(20)22/h7-10H,2-6,11-14H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide?
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide is sourced from PubChem (CID 100713755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).