2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide

C16H25N3O2 — CID 60679283

IUPAC2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H25N3O2/c1-6-17-15(21)19-14(20)11(2)18-13-10-8-7-9-12(13)16(3,4)5/h7-11,18H,6H2,1-5H3,(H2,17,19,20,21)
InChIKeyZSBYRQUAYJZGCE-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.63
Rot. Bonds4

About 2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide

2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide (PubChem CID 60679283) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide
PubChem CID60679283
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H25N3O2/c1-6-17-15(21)19-14(20)11(2)18-13-10-8-7-9-12(13)16(3,4)5/h7-11,18H,6H2,1-5H3,(H2,17,19,20,21)
InChIKeyZSBYRQUAYJZGCE-UHFFFAOYSA-N
XLogP2.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide (CID 60679283) is 2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide?
The InChIKey is ZSBYRQUAYJZGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-6-17-15(21)19-14(20)11(2)18-13-10-8-7-9-12(13)16(3,4)5/h7-11,18H,6H2,1-5H3,(H2,17,19,20,21).
What are the key properties of 2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide?
2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide has a molecular weight of 291.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylanilino)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 60679283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).