N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide

C12H17N3O3 — CID 108869157

IUPACN-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide
SMILESCOc1cccc(NC(=O)N(C=O)CCCN)c1
InChIInChI=1S/C12H17N3O3/c1-18-11-5-2-4-10(8-11)14-12(17)15(9-16)7-3-6-13/h2,4-5,8-9H,3,6-7,13H2,1H3,(H,14,17)
InChIKeyDSHOGPLHVDGHDS-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.03
Rot. Bonds6

About N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide

N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide (PubChem CID 108869157) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide
PubChem CID108869157
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide
SMILESCOc1cccc(NC(=O)N(C=O)CCCN)c1
InChIInChI=1S/C12H17N3O3/c1-18-11-5-2-4-10(8-11)14-12(17)15(9-16)7-3-6-13/h2,4-5,8-9H,3,6-7,13H2,1H3,(H,14,17)
InChIKeyDSHOGPLHVDGHDS-UHFFFAOYSA-N
XLogP1.03
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-[(3-methylphenyl)carbamoyl]formamide
CID 108887986
1-(3-aminopropyl)-1-cyclopropyl-3-(3-methoxyphenyl)urea
CID 61309564
1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea
CID 102874255
1-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-methylurea
CID 54992248
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
N-(3-aminopropyl)-N-[[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]carbamoyl]formamide
CID 108873742
N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide
CID 108528767
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide?
The IUPAC name of N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide (CID 108869157) is N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide?
The canonical SMILES for N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide is COc1cccc(NC(=O)N(C=O)CCCN)c1.
What is the InChIKey of N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide?
The InChIKey is DSHOGPLHVDGHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-11-5-2-4-10(8-11)14-12(17)15(9-16)7-3-6-13/h2,4-5,8-9H,3,6-7,13H2,1H3,(H,14,17).
What are the key properties of N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide?
N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide has a molecular weight of 251.29 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[(3-methoxyphenyl)carbamoyl]formamide is sourced from PubChem (CID 108869157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).