N-[4-(tetradecylcarbamoylamino)phenyl]benzamide

C28H41N3O2 — CID 24820448

IUPACN-[4-(tetradecylcarbamoylamino)phenyl]benzamide
SMILESCCCCCCCCCCCCCCNC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C28H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-29-28(33)31-26-21-19-25(20-22-26)30-27(32)24-17-14-13-15-18-24/h13-15,17-22H,2-12,16,23H2,1H3,(H,30,32)(H2,29,31,33)
InChIKeyNZQTUZAOLRXPAL-UHFFFAOYSA-N
MW451.66 g/mol
LogP7.76
Rot. Bonds16

About N-[4-(tetradecylcarbamoylamino)phenyl]benzamide

N-[4-(tetradecylcarbamoylamino)phenyl]benzamide (PubChem CID 24820448) has the molecular formula C28H41N3O2 and a molecular weight of 451.66 g/mol. Its IUPAC name is N-[4-(tetradecylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(tetradecylcarbamoylamino)phenyl]benzamide
PubChem CID24820448
Molecular FormulaC28H41N3O2
Molecular Weight451.66 g/mol
Exact Mass451.32
IUPAC NameN-[4-(tetradecylcarbamoylamino)phenyl]benzamide
SMILESCCCCCCCCCCCCCCNC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C28H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-29-28(33)31-26-21-19-25(20-22-26)30-27(32)24-17-14-13-15-18-24/h13-15,17-22H,2-12,16,23H2,1H3,(H,30,32)(H2,29,31,33)
InChIKeyNZQTUZAOLRXPAL-UHFFFAOYSA-N
XLogP7.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.66
LogP ≤ 57.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-3-phenylurea
CID 3697946
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
CID 52793055
1-[4-(diethylamino)phenyl]-3-hexylurea
CID 71323969
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
[4-[[4-(pentylcarbamoylamino)phenyl]methyl]phenyl]carbamic acid
CID 69144351
1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea
CID 10659432
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500

Frequently Asked Questions

What is the IUPAC name of N-[4-(tetradecylcarbamoylamino)phenyl]benzamide?
The IUPAC name of N-[4-(tetradecylcarbamoylamino)phenyl]benzamide (CID 24820448) is N-[4-(tetradecylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for N-[4-(tetradecylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for N-[4-(tetradecylcarbamoylamino)phenyl]benzamide is CCCCCCCCCCCCCCNC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(tetradecylcarbamoylamino)phenyl]benzamide?
The InChIKey is NZQTUZAOLRXPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-29-28(33)31-26-21-19-25(20-22-26)30-27(32)24-17-14-13-15-18-24/h13-15,17-22H,2-12,16,23H2,1H3,(H,30,32)(H2,29,31,33).
What are the key properties of N-[4-(tetradecylcarbamoylamino)phenyl]benzamide?
N-[4-(tetradecylcarbamoylamino)phenyl]benzamide has a molecular weight of 451.66 g/mol, XLogP of 7.76, 16 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tetradecylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 24820448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).