N,N,N',N'-tetrakis(2-hydroxyethyl)-2-(3-hydroxypropylamino)butanediamide

C15H31N3O7 — CID 101335572

IUPACN,N,N',N'-tetrakis(2-hydroxyethyl)-2-(3-hydroxypropylamino)butanediamide
SMILESO=C(CC(NCCCO)C(=O)N(CCO)CCO)N(CCO)CCO
InChIInChI=1S/C15H31N3O7/c19-7-1-2-16-13(15(25)18(5-10-22)6-11-23)12-14(24)17(3-8-20)4-9-21/h13,16,19-23H,1-12H2
InChIKeyVAPYTCYULLQKDY-UHFFFAOYSA-N
MW365.43 g/mol
LogP-3.66
Rot. Bonds15

About N,N,N',N'-tetrakis(2-hydroxyethyl)-2-(3-hydroxypropylamino)butanediamide

N,N,N',N'-tetrakis(2-hydroxyethyl)-2-(3-hydroxypropylamino)butanediamide (PubChem CID 101335572) has the molecular formula C15H31N3O7 and a molecular weight of 365.43 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(2-hydroxyethyl)-2-(3-hydroxypropylamino)butanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(2-hydroxyethyl)-2-(3-hydroxypropylamino)butanediamide
PubChem CID101335572
Molecular FormulaC15H31N3O7
Molecular Weight365.43 g/mol
Exact Mass365.22
IUPAC NameN,N,N',N'-tetrakis(2-hydroxyethyl)-2-(3-hydroxypropylamino)butanediamide
SMILESO=C(CC(NCCCO)C(=O)N(CCO)CCO)N(CCO)CCO
InChIInChI=1S/C15H31N3O7/c19-7-1-2-16-13(15(25)18(5-10-22)6-11-23)12-14(24)17(3-8-20)4-9-21/h13,16,19-23H,1-12H2
InChIKeyVAPYTCYULLQKDY-UHFFFAOYSA-N
XLogP-3.66
TPSA153.80 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 5-3.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[bis(2-hydroxyethyl)amino]-2-methyl-4-oxobutanoic acid
CID 158712183
3-[3-hydroxypropyl(3-methylbutanoyl)amino]propanoic acid
CID 82324051
(2S)-2-(3-hydroxypropylamino)pentanedioic acid
CID 87223062
N-butyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513897
4-amino-N,N-diethyl-3-(4-hydroxybutylamino)butanamide
CID 106841213
2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide
CID 103513896
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl(propanoyl)amino]propyl]propanamide
CID 20740586
3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide
CID 60963416
(4S)-5-(dioctylamino)-4-(octylamino)-5-oxopentanoic acid
CID 139816413
5-(diheptylamino)-4-(octadecylamino)-5-oxopentanoic acid
CID 174970280
(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(3-hydroxypropylamino)prop-2-enamide
CID 108844472
(2S)-N,N-dibutyl-2-(dodecylamino)pentanediamide
CID 129308152

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(2-hydroxyethyl)-2-(3-hydroxypropylamino)butanediamide?
The IUPAC name of N,N,N',N'-tetrakis(2-hydroxyethyl)-2-(3-hydroxypropylamino)butanediamide (CID 101335572) is N,N,N',N'-tetrakis(2-hydroxyethyl)-2-(3-hydroxypropylamino)butanediamide.
What is the SMILES notation for N,N,N',N'-tetrakis(2-hydroxyethyl)-2-(3-hydroxypropylamino)butanediamide?
The canonical SMILES for N,N,N',N'-tetrakis(2-hydroxyethyl)-2-(3-hydroxypropylamino)butanediamide is O=C(CC(NCCCO)C(=O)N(CCO)CCO)N(CCO)CCO.
What is the InChIKey of N,N,N',N'-tetrakis(2-hydroxyethyl)-2-(3-hydroxypropylamino)butanediamide?
The InChIKey is VAPYTCYULLQKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O7/c19-7-1-2-16-13(15(25)18(5-10-22)6-11-23)12-14(24)17(3-8-20)4-9-21/h13,16,19-23H,1-12H2.
What are the key properties of N,N,N',N'-tetrakis(2-hydroxyethyl)-2-(3-hydroxypropylamino)butanediamide?
N,N,N',N'-tetrakis(2-hydroxyethyl)-2-(3-hydroxypropylamino)butanediamide has a molecular weight of 365.43 g/mol, XLogP of -3.66, 15 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(2-hydroxyethyl)-2-(3-hydroxypropylamino)butanediamide is sourced from PubChem (CID 101335572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).