N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide

C14H21N3O3 — CID 108884490

IUPACN-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide
SMILESCCOc1ccc(CNC(=O)NCCCNC=O)cc1
InChIInChI=1S/C14H21N3O3/c1-2-20-13-6-4-12(5-7-13)10-17-14(19)16-9-3-8-15-11-18/h4-7,11H,2-3,8-10H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyBQWGBURTQMCIKW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.02
Rot. Bonds9

About N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide

N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide (PubChem CID 108884490) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide.

Molecular Properties

Compound NameN-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide
PubChem CID108884490
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide
SMILESCCOc1ccc(CNC(=O)NCCCNC=O)cc1
InChIInChI=1S/C14H21N3O3/c1-2-20-13-6-4-12(5-7-13)10-17-14(19)16-9-3-8-15-11-18/h4-7,11H,2-3,8-10H2,1H3,(H,15,18)(H2,16,17,19)
InChIKeyBQWGBURTQMCIKW-UHFFFAOYSA-N
XLogP1.02
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 108884480
N-[3-[(4-bromophenyl)methylcarbamoylamino]propyl]formamide
CID 108899505
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
3-[(4-ethoxyphenyl)methylcarbamoylamino]propanoic acid
CID 108884286
1-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108884612
1-[(4-ethoxyphenyl)methyl]-3-prop-2-enylurea
CID 108884465
1-[2-(4-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884614
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[3-[(3,4-dimethylphenoxy)methylcarbamoylamino]propyl]formamide
CID 108879185
1-[2-(3-bromophenyl)ethyl]-3-[(4-ethoxyphenyl)methyl]urea
CID 108884611

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide?
The IUPAC name of N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide (CID 108884490) is N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide.
What is the SMILES notation for N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide?
The canonical SMILES for N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide is CCOc1ccc(CNC(=O)NCCCNC=O)cc1.
What is the InChIKey of N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide?
The InChIKey is BQWGBURTQMCIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-20-13-6-4-12(5-7-13)10-17-14(19)16-9-3-8-15-11-18/h4-7,11H,2-3,8-10H2,1H3,(H,15,18)(H2,16,17,19).
What are the key properties of N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide?
N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide has a molecular weight of 279.34 g/mol, XLogP of 1.02, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-ethoxyphenyl)methylcarbamoylamino]propyl]formamide is sourced from PubChem (CID 108884490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).