N-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide

C28H38N4O4 — CID 138403848

IUPACN-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide
SMILESCCOC1(c2ccccc2C)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCC2CNCN2)C1
InChIInChI=1S/C28H38N4O4/c1-4-36-28(24-8-6-5-7-20(24)2)17-32(18-28)27(34)25(15-21-9-12-23(35-3)13-10-21)31-26(33)14-11-22-16-29-19-30-22/h5-10,12-13,22,25,29-30H,4,11,14-19H2,1-3H3,(H,31,33)/t22?,25-/m1/s1
InChIKeyIGYMFGJBENEZQL-NRWPOFLRSA-N
MW494.64 g/mol
LogP2.10
Rot. Bonds11

About N-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide

N-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide (PubChem CID 138403848) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide
PubChem CID138403848
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC NameN-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide
SMILESCCOC1(c2ccccc2C)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCC2CNCN2)C1
InChIInChI=1S/C28H38N4O4/c1-4-36-28(24-8-6-5-7-20(24)2)17-32(18-28)27(34)25(15-21-9-12-23(35-3)13-10-21)31-26(33)14-11-22-16-29-19-30-22/h5-10,12-13,22,25,29-30H,4,11,14-19H2,1-3H3,(H,31,33)/t22?,25-/m1/s1
InChIKeyIGYMFGJBENEZQL-NRWPOFLRSA-N
XLogP2.10
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide?
The IUPAC name of N-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide (CID 138403848) is N-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide.
What is the SMILES notation for N-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide?
The canonical SMILES for N-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide is CCOC1(c2ccccc2C)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCC2CNCN2)C1.
What is the InChIKey of N-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide?
The InChIKey is IGYMFGJBENEZQL-NRWPOFLRSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-4-36-28(24-8-6-5-7-20(24)2)17-32(18-28)27(34)25(15-21-9-12-23(35-3)13-10-21)31-26(33)14-11-22-16-29-19-30-22/h5-10,12-13,22,25,29-30H,4,11,14-19H2,1-3H3,(H,31,33)/t22?,25-/m1/s1.
What are the key properties of N-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide?
N-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide has a molecular weight of 494.64 g/mol, XLogP of 2.10, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[3-ethoxy-3-(2-methylphenyl)azetidin-1-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-imidazolidin-4-ylpropanamide is sourced from PubChem (CID 138403848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).