N-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide

C17H34N2O2 — CID 155750800

IUPACN-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide
SMILESCCCC(=O)N(C)CC[C@@H]1CN(CCCC(C)C)CCO1
InChIInChI=1S/C17H34N2O2/c1-5-7-17(20)18(4)11-9-16-14-19(12-13-21-16)10-6-8-15(2)3/h15-16H,5-14H2,1-4H3/t16-/m1/s1
InChIKeyDZVRCACMUVXYNB-MRXNPFEDSA-N
MW298.47 g/mol
LogP2.77
Rot. Bonds9

About N-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide

N-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide (PubChem CID 155750800) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide
PubChem CID155750800
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide
SMILESCCCC(=O)N(C)CC[C@@H]1CN(CCCC(C)C)CCO1
InChIInChI=1S/C17H34N2O2/c1-5-7-17(20)18(4)11-9-16-14-19(12-13-21-16)10-6-8-15(2)3/h15-16H,5-14H2,1-4H3/t16-/m1/s1
InChIKeyDZVRCACMUVXYNB-MRXNPFEDSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide?
The IUPAC name of N-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide (CID 155750800) is N-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide.
What is the SMILES notation for N-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide?
The canonical SMILES for N-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide is CCCC(=O)N(C)CC[C@@H]1CN(CCCC(C)C)CCO1.
What is the InChIKey of N-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide?
The InChIKey is DZVRCACMUVXYNB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-7-17(20)18(4)11-9-16-14-19(12-13-21-16)10-6-8-15(2)3/h15-16H,5-14H2,1-4H3/t16-/m1/s1.
What are the key properties of N-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide?
N-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide has a molecular weight of 298.47 g/mol, XLogP of 2.77, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(2R)-4-(4-methylpentyl)morpholin-2-yl]ethyl]butanamide is sourced from PubChem (CID 155750800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).