tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate

C19H29N3O3 — CID 113247798

IUPACtert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate
SMILESCNC(=O)c1ccc(CNC2CCC(NC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C19H29N3O3/c1-19(2,3)25-18(24)22-16-10-9-15(11-16)21-12-13-5-7-14(8-6-13)17(23)20-4/h5-8,15-16,21H,9-12H2,1-4H3,(H,20,23)(H,22,24)
InChIKeyFNFBMDCUXQMIST-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.58
Rot. Bonds5

About tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate

tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate (PubChem CID 113247798) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate
PubChem CID113247798
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nametert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate
SMILESCNC(=O)c1ccc(CNC2CCC(NC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C19H29N3O3/c1-19(2,3)25-18(24)22-16-10-9-15(11-16)21-12-13-5-7-14(8-6-13)17(23)20-4/h5-8,15-16,21H,9-12H2,1-4H3,(H,20,23)(H,22,24)
InChIKeyFNFBMDCUXQMIST-UHFFFAOYSA-N
XLogP2.58
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate
CID 80558975
4-[[(3-aminocyclopentyl)amino]methyl]-N-methylbenzamide
CID 79462597
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298
tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate
CID 106415109
tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate
CID 68550371
tert-butyl N-[(1S,3S)-3-[(4-tert-butylbenzoyl)amino]cyclohexyl]carbamate
CID 124675025
tert-butyl N-[3-[(2-methoxyphenyl)methylamino]cyclopentyl]carbamate
CID 103719601
tert-butyl N-[3-(1H-pyrazol-5-ylmethylamino)cyclopentyl]carbamate
CID 79462025
4-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]amino]methyl]benzoic acid
CID 107238255
tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
CID 80562080
tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate
CID 107239561
4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide
CID 112553050

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate (CID 113247798) is tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate is CNC(=O)c1ccc(CNC2CCC(NC(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate?
The InChIKey is FNFBMDCUXQMIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-19(2,3)25-18(24)22-16-10-9-15(11-16)21-12-13-5-7-14(8-6-13)17(23)20-4/h5-8,15-16,21H,9-12H2,1-4H3,(H,20,23)(H,22,24).
What are the key properties of tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate?
tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate has a molecular weight of 347.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[4-(methylcarbamoyl)phenyl]methylamino]cyclopentyl]carbamate is sourced from PubChem (CID 113247798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).