N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

C30H43NO4 — CID 40911081

IUPACN-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C30H43NO4/c1-7-29(32)31(21-24-12-14-25(15-13-24)35-23(4)5)18-16-30(17-19-34-28(20-30)22(2)3)26-10-8-9-11-27(26)33-6/h8-15,22-23,28H,7,16-21H2,1-6H3/t28-,30-/m1/s1
InChIKeyYXXOGRSJPNKHOX-PQHLKRTFSA-N
MW481.68 g/mol
LogP6.38
Rot. Bonds11

About N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 40911081) has the molecular formula C30H43NO4 and a molecular weight of 481.68 g/mol. Its IUPAC name is N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID40911081
Molecular FormulaC30H43NO4
Molecular Weight481.68 g/mol
Exact Mass481.32
IUPAC NameN-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1)Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C30H43NO4/c1-7-29(32)31(21-24-12-14-25(15-13-24)35-23(4)5)18-16-30(17-19-34-28(20-30)22(2)3)26-10-8-9-11-27(26)33-6/h8-15,22-23,28H,7,16-21H2,1-6H3/t28-,30-/m1/s1
InChIKeyYXXOGRSJPNKHOX-PQHLKRTFSA-N
XLogP6.38
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
CID 7082892
N-[[4-(dimethylamino)phenyl]methyl]-N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
CID 40927445
N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
CID 40927130
N-[(2-fluorophenyl)methyl]-N-[2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
CID 4564188
N,N-diethyl-2-[4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]acetamide
CID 3758231
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]furan-2-carboxamide
CID 25426945
2-[(2S,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethanamine
CID 906865
N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4R)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
CID 7463562
(3,4-dimethoxyphenyl)methyl-[2-[(2R,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 7639709
(3,4-dimethoxyphenyl)methyl-[2-[(2S,4S)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 7639707
N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 25426230
N-[[4-(dimethylamino)phenyl]methyl]-N-[2-[(4S)-4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]acetamide
CID 1119817

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (CID 40911081) is N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is CCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1)Cc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is YXXOGRSJPNKHOX-PQHLKRTFSA-N. The full InChI is InChI=1S/C30H43NO4/c1-7-29(32)31(21-24-12-14-25(15-13-24)35-23(4)5)18-16-30(17-19-34-28(20-30)22(2)3)26-10-8-9-11-27(26)33-6/h8-15,22-23,28H,7,16-21H2,1-6H3/t28-,30-/m1/s1.
What are the key properties of N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 481.68 g/mol, XLogP of 6.38, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,4R)-4-(2-methoxyphenyl)-2-propan-2-yloxan-4-yl]ethyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 40911081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).