N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide

C21H32N2O4 — CID 51119931

IUPACN-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCOc1cc(C(C)NC(=O)C(C)NC(=O)C2CCCC2)ccc1OC(C)C
InChIInChI=1S/C21H32N2O4/c1-13(2)27-18-11-10-17(12-19(18)26-5)14(3)22-20(24)15(4)23-21(25)16-8-6-7-9-16/h10-16H,6-9H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyOQKFAKRIILPTRF-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.35
Rot. Bonds8

About N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide

N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide (PubChem CID 51119931) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
PubChem CID51119931
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC NameN-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCOc1cc(C(C)NC(=O)C(C)NC(=O)C2CCCC2)ccc1OC(C)C
InChIInChI=1S/C21H32N2O4/c1-13(2)27-18-11-10-17(12-19(18)26-5)14(3)22-20(24)15(4)23-21(25)16-8-6-7-9-16/h10-16H,6-9H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyOQKFAKRIILPTRF-UHFFFAOYSA-N
XLogP3.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119721211
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
2,2-dichloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 78864734
2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide
CID 119721222
1-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288209
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46460923
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288176
3-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 66010445

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide (CID 51119931) is N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide is COc1cc(C(C)NC(=O)C(C)NC(=O)C2CCCC2)ccc1OC(C)C.
What is the InChIKey of N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The InChIKey is OQKFAKRIILPTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-13(2)27-18-11-10-17(12-19(18)26-5)14(3)22-20(24)15(4)23-21(25)16-8-6-7-9-16/h10-16H,6-9H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 51119931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).