tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate

C16H24N2O4 — CID 45351440

IUPACtert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate
SMILESCOCC(C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H24N2O4/c1-11(10-21-5)17-14(19)12-6-8-13(9-7-12)18-15(20)22-16(2,3)4/h6-9,11H,10H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyFSEBXKRTVCWSKR-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.80
Rot. Bonds5

About tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate

tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate (PubChem CID 45351440) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate
PubChem CID45351440
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Nametert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate
SMILESCOCC(C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H24N2O4/c1-11(10-21-5)17-14(19)12-6-8-13(9-7-12)18-15(20)22-16(2,3)4/h6-9,11H,10H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyFSEBXKRTVCWSKR-UHFFFAOYSA-N
XLogP2.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
4-benzamido-N-(1-methoxypropan-2-yl)benzamide
CID 17153292
methyl (2S)-3-hydroxy-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoate
CID 9278088
tert-butyl N-[4-[(1-methoxy-3-methylbutan-2-yl)amino]phenyl]carbamate
CID 103936121
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
tert-butyl N-[4-(3-methoxypropanoylamino)phenyl]carbamate
CID 58812989
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065
4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide
CID 94811602
N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 51219141
(2S)-3-hydroxy-2-[[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoyl]amino]propanoic acid
CID 169151189
3-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-4-oxobutanoic acid
CID 10733521
4-(dimethylamino)-N-(1-methoxypropan-2-yl)benzamide
CID 2904147

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate (CID 45351440) is tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate is COCC(C)NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate?
The InChIKey is FSEBXKRTVCWSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-11(10-21-5)17-14(19)12-6-8-13(9-7-12)18-15(20)22-16(2,3)4/h6-9,11H,10H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate?
tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 45351440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).