N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide

C15H23N3O2 — CID 108884840

IUPACN-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide
SMILESCC(C)(C)c1ccc(NC(=O)NCCCNC=O)cc1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)12-5-7-13(8-6-12)18-14(20)17-10-4-9-16-11-19/h5-8,11H,4,9-10H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeyCIPVHJBTKXEXMF-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.24
Rot. Bonds6

About N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide

N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide (PubChem CID 108884840) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide.

Molecular Properties

Compound NameN-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide
PubChem CID108884840
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide
SMILESCC(C)(C)c1ccc(NC(=O)NCCCNC=O)cc1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)12-5-7-13(8-6-12)18-14(20)17-10-4-9-16-11-19/h5-8,11H,4,9-10H2,1-3H3,(H,16,19)(H2,17,18,20)
InChIKeyCIPVHJBTKXEXMF-UHFFFAOYSA-N
XLogP2.24
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide
CID 108869282
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934
3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid
CID 28510898
1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 52543250
1-(4-tert-butylphenyl)-3-(chloromethyl)urea
CID 142021832
N-[3-[(3-bromophenyl)carbamoylamino]propyl]formamide
CID 108870174
N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063298
4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107837896
1-(4-tert-butylphenyl)-3-[3-(2-chlorophenoxy)propyl]urea
CID 108883554
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
1-(4-tert-butylphenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 166207403
1-phenyl-3-[3-(prop-1-enylamino)propyl]urea
CID 70507693

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide?
The IUPAC name of N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide (CID 108884840) is N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide.
What is the SMILES notation for N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide?
The canonical SMILES for N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide is CC(C)(C)c1ccc(NC(=O)NCCCNC=O)cc1.
What is the InChIKey of N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide?
The InChIKey is CIPVHJBTKXEXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)12-5-7-13(8-6-12)18-14(20)17-10-4-9-16-11-19/h5-8,11H,4,9-10H2,1-3H3,(H,16,19)(H2,17,18,20).
What are the key properties of N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide?
N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide has a molecular weight of 277.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide is sourced from PubChem (CID 108884840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).