tert-butyl N-[4-[1-[[4-(2-hydroxyethyl)benzoyl]amino]propyl]phenyl]carbamate

C23H30N2O4 — CID 139764695

IUPACtert-butyl N-[4-[1-[[4-(2-hydroxyethyl)benzoyl]amino]propyl]phenyl]carbamate
SMILESCCC(NC(=O)c1ccc(CCO)cc1)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H30N2O4/c1-5-20(25-21(27)18-8-6-16(7-9-18)14-15-26)17-10-12-19(13-11-17)24-22(28)29-23(2,3)4/h6-13,20,26H,5,14-15H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyQJJBMVDUXJYAJK-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.45
Rot. Bonds7

About tert-butyl N-[4-[1-[[4-(2-hydroxyethyl)benzoyl]amino]propyl]phenyl]carbamate

tert-butyl N-[4-[1-[[4-(2-hydroxyethyl)benzoyl]amino]propyl]phenyl]carbamate (PubChem CID 139764695) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is tert-butyl N-[4-[1-[[4-(2-hydroxyethyl)benzoyl]amino]propyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[1-[[4-(2-hydroxyethyl)benzoyl]amino]propyl]phenyl]carbamate
PubChem CID139764695
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Nametert-butyl N-[4-[1-[[4-(2-hydroxyethyl)benzoyl]amino]propyl]phenyl]carbamate
SMILESCCC(NC(=O)c1ccc(CCO)cc1)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H30N2O4/c1-5-20(25-21(27)18-8-6-16(7-9-18)14-15-26)17-10-12-19(13-11-17)24-22(28)29-23(2,3)4/h6-13,20,26H,5,14-15H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyQJJBMVDUXJYAJK-UHFFFAOYSA-N
XLogP4.45
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate
CID 9155973
methyl (2S)-3-hydroxy-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoate
CID 9278088
tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate
CID 45351440
(2S)-3-hydroxy-2-[[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoyl]amino]propanoic acid
CID 169151189
tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate
CID 9268246
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065
tert-butyl N-[4-[2-[4-(difluoromethoxy)phenyl]ethylcarbamoyl]phenyl]carbamate
CID 55396791
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9224948
4-(methoxymethyl)-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 8624127

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[1-[[4-(2-hydroxyethyl)benzoyl]amino]propyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[1-[[4-(2-hydroxyethyl)benzoyl]amino]propyl]phenyl]carbamate (CID 139764695) is tert-butyl N-[4-[1-[[4-(2-hydroxyethyl)benzoyl]amino]propyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[1-[[4-(2-hydroxyethyl)benzoyl]amino]propyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[1-[[4-(2-hydroxyethyl)benzoyl]amino]propyl]phenyl]carbamate is CCC(NC(=O)c1ccc(CCO)cc1)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[1-[[4-(2-hydroxyethyl)benzoyl]amino]propyl]phenyl]carbamate?
The InChIKey is QJJBMVDUXJYAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-5-20(25-21(27)18-8-6-16(7-9-18)14-15-26)17-10-12-19(13-11-17)24-22(28)29-23(2,3)4/h6-13,20,26H,5,14-15H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of tert-butyl N-[4-[1-[[4-(2-hydroxyethyl)benzoyl]amino]propyl]phenyl]carbamate?
tert-butyl N-[4-[1-[[4-(2-hydroxyethyl)benzoyl]amino]propyl]phenyl]carbamate has a molecular weight of 398.50 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[1-[[4-(2-hydroxyethyl)benzoyl]amino]propyl]phenyl]carbamate is sourced from PubChem (CID 139764695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).