N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide

C21H29N3O4 — CID 86831296

IUPACN-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide
SMILESCCOc1cccc2cc(C(C)NC(=O)NCCC(=O)NC3CCCC3)oc12
InChIInChI=1S/C21H29N3O4/c1-3-27-17-10-6-7-15-13-18(28-20(15)17)14(2)23-21(26)22-12-11-19(25)24-16-8-4-5-9-16/h6-7,10,13-14,16H,3-5,8-9,11-12H2,1-2H3,(H,24,25)(H2,22,23,26)
InChIKeyOVXBMIKRKFBLOK-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.64
Rot. Bonds8

About N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide

N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide (PubChem CID 86831296) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide
PubChem CID86831296
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC NameN-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide
SMILESCCOc1cccc2cc(C(C)NC(=O)NCCC(=O)NC3CCCC3)oc12
InChIInChI=1S/C21H29N3O4/c1-3-27-17-10-6-7-15-13-18(28-20(15)17)14(2)23-21(26)22-12-11-19(25)24-16-8-4-5-9-16/h6-7,10,13-14,16H,3-5,8-9,11-12H2,1-2H3,(H,24,25)(H2,22,23,26)
InChIKeyOVXBMIKRKFBLOK-UHFFFAOYSA-N
XLogP3.64
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17403478
N-[2-[[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 41095730
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea
CID 129429535
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 78879968
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841700
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 39972995
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide
CID 55396253
1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119273327
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
CID 175788600

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide?
The IUPAC name of N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide (CID 86831296) is N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide is CCOc1cccc2cc(C(C)NC(=O)NCCC(=O)NC3CCCC3)oc12.
What is the InChIKey of N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide?
The InChIKey is OVXBMIKRKFBLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-3-27-17-10-6-7-15-13-18(28-20(15)17)14(2)23-21(26)22-12-11-19(25)24-16-8-4-5-9-16/h6-7,10,13-14,16H,3-5,8-9,11-12H2,1-2H3,(H,24,25)(H2,22,23,26).
What are the key properties of N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide?
N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide has a molecular weight of 387.48 g/mol, XLogP of 3.64, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoylamino]propanamide is sourced from PubChem (CID 86831296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).