tert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate

C17H25N3O4 — CID 166946744

IUPACtert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(NC=O)cc1
InChIInChI=1S/C17H25N3O4/c1-17(2,3)24-16(23)19-11-5-4-10-18-15(22)13-6-8-14(9-7-13)20-12-21/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeySJXDTDXPLATHEF-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.29
Rot. Bonds8

About tert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate

tert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate (PubChem CID 166946744) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is tert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate
PubChem CID166946744
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Nametert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(NC=O)cc1
InChIInChI=1S/C17H25N3O4/c1-17(2,3)24-16(23)19-11-5-4-10-18-15(22)13-6-8-14(9-7-13)20-12-21/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeySJXDTDXPLATHEF-UHFFFAOYSA-N
XLogP2.29
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
CID 118973665
tert-butyl N-[5-[(4-ethynylbenzoyl)amino]pentyl]carbamate
CID 155928446
tert-butyl N-[3-[4-(methylcarbamoyl)anilino]propyl]carbamate
CID 103821711
tert-butyl 4-formamidobenzoate
CID 22291289
tert-butyl N-[3-(pyridine-4-carbonylamino)propyl]carbamate
CID 18510355
methyl 6-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]hexanoate
CID 31840944
tert-butyl N-[3-[(4-isocyanobenzoyl)amino]propyl]carbamate
CID 140808849
tert-butyl N-[3-[3-[(4-tert-butylbenzoyl)amino]propylamino]-3-oxopropyl]carbamate
CID 108921611
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110464682
tert-butyl N-[4-[2-[(4-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl]carbamate
CID 55736690
tert-butyl N-[3-[3-[(4-methylbenzoyl)amino]propylamino]-3-oxopropyl]carbamate
CID 108921542

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate (CID 166946744) is tert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate is CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(NC=O)cc1.
What is the InChIKey of tert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate?
The InChIKey is SJXDTDXPLATHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-17(2,3)24-16(23)19-11-5-4-10-18-15(22)13-6-8-14(9-7-13)20-12-21/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of tert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate?
tert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate has a molecular weight of 335.40 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(4-formamidobenzoyl)amino]butyl]carbamate is sourced from PubChem (CID 166946744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).