N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide

C15H31N3O2 — CID 61250344

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C15H31N3O2/c1-13(2)16-7-5-6-14(19)17-12-15(3,4)18-8-10-20-11-9-18/h13,16H,5-12H2,1-4H3,(H,17,19)
InChIKeyTXCPRKZTMMKMJA-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.99
Rot. Bonds8

About N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide

N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide (PubChem CID 61250344) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide
PubChem CID61250344
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C15H31N3O2/c1-13(2)16-7-5-6-14(19)17-12-15(3,4)18-8-10-20-11-9-18/h13,16H,5-12H2,1-4H3,(H,17,19)
InChIKeyTXCPRKZTMMKMJA-UHFFFAOYSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 79193032
5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 61251075
7-amino-N-(2-methyl-2-morpholin-4-ylpropyl)heptanamide
CID 61248464
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
2-(ethylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 60685788
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide
CID 51192724
2-(1-aminocyclohexyl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 64679417
N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide
CID 78907145
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 4801976
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide (CID 61250344) is N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is TXCPRKZTMMKMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-13(2)16-7-5-6-14(19)17-12-15(3,4)18-8-10-20-11-9-18/h13,16H,5-12H2,1-4H3,(H,17,19).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 285.43 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 61250344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).