N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide

C21H27N3O2 — CID 51944255

IUPACN-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H27N3O2/c1-14(16-7-6-8-19(13-16)23-15(2)25)22-20(26)24-18-11-9-17(10-12-18)21(3,4)5/h6-14H,1-5H3,(H,23,25)(H2,22,24,26)/t14-/m1/s1
InChIKeyYZQMBNKAQSVMEB-CQSZACIVSA-N
MW353.47 g/mol
LogP4.83
Rot. Bonds4

About N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide

N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide (PubChem CID 51944255) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide
PubChem CID51944255
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H27N3O2/c1-14(16-7-6-8-19(13-16)23-15(2)25)22-20(26)24-18-11-9-17(10-12-18)21(3,4)5/h6-14H,1-5H3,(H,23,25)(H2,22,24,26)/t14-/m1/s1
InChIKeyYZQMBNKAQSVMEB-CQSZACIVSA-N
XLogP4.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(1R)-1-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]phenyl]acetamide
CID 51944566
N-[3-[1-[(4-phenylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 47032022
4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide
CID 55834926
N-[1-[1-(3-acetamidophenyl)ethylamino]-1-oxopropan-2-yl]-4-tert-butylbenzamide
CID 46598585
N-[3-[1-[(4-piperidin-1-ylphenyl)carbamoylamino]ethyl]phenyl]acetamide
CID 55696566
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 133204286
tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate
CID 63788679
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 46580612

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide (CID 51944255) is N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide?
The InChIKey is YZQMBNKAQSVMEB-CQSZACIVSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(16-7-6-8-19(13-16)23-15(2)25)22-20(26)24-18-11-9-17(10-12-18)21(3,4)5/h6-14H,1-5H3,(H,23,25)(H2,22,24,26)/t14-/m1/s1.
What are the key properties of N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide?
N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 4.83, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-[(4-tert-butylphenyl)carbamoylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 51944255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).