3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide

C19H25N3O3 — CID 60544727

IUPAC3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC(=O)NCCOc1cccc2ccccc12
InChIInChI=1S/C19H25N3O3/c1-14(2)22-18(23)10-11-20-19(24)21-12-13-25-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,10-13H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyVSTSCHVLLPCKET-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.43
Rot. Bonds8

About 3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide

3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide (PubChem CID 60544727) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide
PubChem CID60544727
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNC(=O)NCCOc1cccc2ccccc12
InChIInChI=1S/C19H25N3O3/c1-14(2)22-18(23)10-11-20-19(24)21-12-13-25-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,10-13H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyVSTSCHVLLPCKET-UHFFFAOYSA-N
XLogP2.43
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide (CID 60544727) is 3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNC(=O)NCCOc1cccc2ccccc12.
What is the InChIKey of 3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide?
The InChIKey is VSTSCHVLLPCKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(2)22-18(23)10-11-20-19(24)21-12-13-25-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,10-13H2,1-2H3,(H,22,23)(H2,20,21,24).
What are the key properties of 3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide?
3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide has a molecular weight of 343.43 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 60544727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).