1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea

C20H31N3O2 — CID 126442915

IUPAC1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea
SMILESCCOc1cccc(CN(C(=O)NC[C@H]2CCN(CC)C2)C2CC2)c1
InChIInChI=1S/C20H31N3O2/c1-3-22-11-10-17(14-22)13-21-20(24)23(18-8-9-18)15-16-6-5-7-19(12-16)25-4-2/h5-7,12,17-18H,3-4,8-11,13-15H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyIREPSMNDYCZXIP-QGZVFWFLSA-N
MW345.49 g/mol
LogP3.10
Rot. Bonds8

About 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea

1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea (PubChem CID 126442915) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea
PubChem CID126442915
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea
SMILESCCOc1cccc(CN(C(=O)NC[C@H]2CCN(CC)C2)C2CC2)c1
InChIInChI=1S/C20H31N3O2/c1-3-22-11-10-17(14-22)13-21-20(24)23(18-8-9-18)15-16-6-5-7-19(12-16)25-4-2/h5-7,12,17-18H,3-4,8-11,13-15H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyIREPSMNDYCZXIP-QGZVFWFLSA-N
XLogP3.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea with MolForge

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Related Compounds

1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea
CID 119065491
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-[(2-methoxyacetyl)amino]benzamide
CID 50975306
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide
CID 46998435
4-[3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]phenoxy]butanenitrile
CID 119109007
3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea
CID 20908214
1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea
CID 125437502
1-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119905107
1-[(3-ethoxyphenyl)methyl]-2-methyl-3-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 111559912
tert-butyl N-[[1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]piperidin-4-yl]methyl]carbamate
CID 56571118
5-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 56702364
4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide
CID 51099911
1-[(3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65066222

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea (CID 126442915) is 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea is CCOc1cccc(CN(C(=O)NC[C@H]2CCN(CC)C2)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea?
The InChIKey is IREPSMNDYCZXIP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-22-11-10-17(14-22)13-21-20(24)23(18-8-9-18)15-16-6-5-7-19(12-16)25-4-2/h5-7,12,17-18H,3-4,8-11,13-15H2,1-2H3,(H,21,24)/t17-/m1/s1.
What are the key properties of 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea?
1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea has a molecular weight of 345.49 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 126442915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).